 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_wB97XD-augccpVDZr.in
 Output=27_methylindane_Boat_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/27_methylindane_Boat_STD/Gau-14290.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14292.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Boat_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 23:42:23 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 23:42:24 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Thu Jul  8 23:42:24 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0140568314 Hartrees.
 Nuclear repulsion after empirical dispersion term =      504.1704115605 Hartrees.
 Leave Link  301 at Thu Jul  8 23:42:27 2021, MaxMem= 10737418240 cpu:              34.4 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.42D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul  8 23:42:28 2021, MaxMem= 10737418240 cpu:               9.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 23:42:28 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 23:42:29 2021, MaxMem= 10737418240 cpu:               8.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737152694 LenY= 10737024089
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.214154254532    
 DIIS: error= 1.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.214154254532     IErMin= 1 ErrMin= 1.68D-03
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-03 BMatP= 4.14D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.366 Goal=   None    Shift=    0.000
 GapD=    0.366 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.08D-02 MaxDP=3.93D+00              OVMax= 1.07D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.22D-02    CP:  1.49D+00
 E= -388.217359619341     Delta-E=       -0.003205364809 Rises=F Damp=F
 DIIS: error= 2.02D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.217359619341     IErMin= 2 ErrMin= 2.02D-04
 ErrMax= 2.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-05 BMatP= 4.14D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.02D-03
 Coeff-Com: -0.562D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.561D-01 0.106D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.34D-03 MaxDP=6.48D-01 DE=-3.21D-03 OVMax= 2.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.32D-03    CP:  1.58D+00  1.16D+00
 E= -388.217439800063     Delta-E=       -0.000080180722 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.217439800063     IErMin= 3 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-06 BMatP= 4.48D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.181D-01 0.208D+00 0.810D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.181D-01 0.208D+00 0.810D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=5.74D-04 MaxDP=4.13D-02 DE=-8.02D-05 OVMax= 7.61D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.12D-04    CP:  1.59D+00  1.17D+00  1.11D+00
 E= -388.217445941388     Delta-E=       -0.000006141325 Rises=F Damp=F
 DIIS: error= 3.74D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.217445941388     IErMin= 4 ErrMin= 3.74D-05
 ErrMax= 3.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 5.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.441D-03-0.586D-01 0.258D+00 0.800D+00
 Coeff:      0.441D-03-0.586D-01 0.258D+00 0.800D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.68D-04 MaxDP=1.26D-02 DE=-6.14D-06 OVMax= 4.53D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.14D-05    CP:  1.59D+00  1.17D+00  1.15D+00  1.06D+00
 E= -388.217447352274     Delta-E=       -0.000001410886 Rises=F Damp=F
 DIIS: error= 1.00D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.217447352274     IErMin= 5 ErrMin= 1.00D-05
 ErrMax= 1.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.94D-08 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-02-0.347D-01 0.205D-01 0.270D+00 0.743D+00
 Coeff:      0.157D-02-0.347D-01 0.205D-01 0.270D+00 0.743D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.37D-05 MaxDP=1.24D-03 DE=-1.41D-06 OVMax= 1.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.65D-05    CP:  1.59D+00  1.17D+00  1.15D+00  1.16D+00  1.00D+00
 E= -388.217447466646     Delta-E=       -0.000000114372 Rises=F Damp=F
 DIIS: error= 4.81D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.217447466646     IErMin= 6 ErrMin= 4.81D-06
 ErrMax= 4.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-08 BMatP= 9.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.499D-03-0.741D-02-0.142D-01 0.400D-01 0.299D+00 0.682D+00
 Coeff:      0.499D-03-0.741D-02-0.142D-01 0.400D-01 0.299D+00 0.682D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.36D-05 MaxDP=1.02D-03 DE=-1.14D-07 OVMax= 7.47D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.06D-06    CP:  1.59D+00  1.17D+00  1.15D+00  1.16D+00  1.03D+00
                    CP:  9.60D-01
 E= -388.217447484514     Delta-E=       -0.000000017868 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.217447484514     IErMin= 7 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-09 BMatP= 1.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-04 0.254D-02-0.699D-02-0.260D-01-0.358D-01 0.180D+00
 Coeff-Com:  0.886D+00
 Coeff:     -0.661D-04 0.254D-02-0.699D-02-0.260D-01-0.358D-01 0.180D+00
 Coeff:      0.886D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.21D-06 MaxDP=6.59D-04 DE=-1.79D-08 OVMax= 2.50D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.03D+00  1.15D+00
 E= -388.217447486715     Delta-E=       -0.000000002201 Rises=F Damp=F
 DIIS: error= 5.89D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.217447486715     IErMin= 8 ErrMin= 5.89D-07
 ErrMax= 5.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-10 BMatP= 1.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.742D-04 0.169D-02-0.179D-02-0.144D-01-0.455D-01 0.126D-01
 Coeff-Com:  0.360D+00 0.688D+00
 Coeff:     -0.742D-04 0.169D-02-0.179D-02-0.144D-01-0.455D-01 0.126D-01
 Coeff:      0.360D+00 0.688D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=7.38D-05 DE=-2.20D-09 OVMax= 1.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.51D-07    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.05D+00
                    CP:  1.04D+00  1.18D+00  1.10D+00
 E= -388.217447487066     Delta-E=       -0.000000000351 Rises=F Damp=F
 DIIS: error= 1.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.217447487066     IErMin= 9 ErrMin= 1.86D-07
 ErrMax= 1.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-11 BMatP= 1.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.401D-05-0.214D-03 0.678D-03 0.286D-02 0.137D-02-0.180D-01
 Coeff-Com: -0.100D+00 0.388D-01 0.107D+01
 Coeff:      0.401D-05-0.214D-03 0.678D-03 0.286D-02 0.137D-02-0.180D-01
 Coeff:     -0.100D+00 0.388D-01 0.107D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.37D-07 MaxDP=3.68D-05 DE=-3.51D-10 OVMax= 5.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.04D+00  1.20D+00  1.18D+00  1.10D+00
 E= -388.217447487053     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 5.04D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -388.217447487066     IErMin=10 ErrMin= 5.04D-08
 ErrMax= 5.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-12 BMatP= 1.14D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.906D-05-0.244D-03 0.405D-03 0.251D-02 0.537D-02-0.584D-02
 Coeff-Com: -0.691D-01-0.586D-01 0.334D+00 0.792D+00
 Coeff:      0.906D-05-0.244D-03 0.405D-03 0.251D-02 0.537D-02-0.584D-02
 Coeff:     -0.691D-01-0.586D-01 0.334D+00 0.792D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=1.25D-05 DE= 1.34D-11 OVMax= 1.88D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.98D-08    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.04D+00  1.20D+00  1.19D+00  1.13D+00  1.07D+00
 E= -388.217447487147     Delta-E=       -0.000000000094 Rises=F Damp=F
 DIIS: error= 3.08D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -388.217447487147     IErMin=11 ErrMin= 3.08D-08
 ErrMax= 3.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-13 BMatP= 2.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-05-0.306D-04-0.416D-04 0.999D-04 0.140D-02 0.239D-02
 Coeff-Com:  0.696D-03-0.298D-01-0.143D+00 0.197D+00 0.971D+00
 Coeff:      0.210D-05-0.306D-04-0.416D-04 0.999D-04 0.140D-02 0.239D-02
 Coeff:      0.696D-03-0.298D-01-0.143D+00 0.197D+00 0.971D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.72D-08 MaxDP=4.17D-06 DE=-9.45D-11 OVMax= 1.11D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.27D-08    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.04D+00  1.20D+00  1.18D+00  1.12D+00  1.18D+00
                    CP:  1.09D+00
 E= -388.217447487122     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 1.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -388.217447487147     IErMin=12 ErrMin= 1.06D-08
 ErrMax= 1.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-14 BMatP= 3.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.984D-06 0.341D-04-0.814D-04-0.415D-03-0.507D-03 0.172D-02
 Coeff-Com:  0.123D-01 0.951D-03-0.944D-01-0.869D-01 0.297D+00 0.870D+00
 Coeff:     -0.984D-06 0.341D-04-0.814D-04-0.415D-03-0.507D-03 0.172D-02
 Coeff:      0.123D-01 0.951D-03-0.944D-01-0.869D-01 0.297D+00 0.870D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=1.12D-06 DE= 2.52D-11 OVMax= 3.86D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.72D-09    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.04D+00  1.20D+00  1.18D+00  1.12D+00  1.19D+00
                    CP:  1.19D+00  1.12D+00
 E= -388.217447487123     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 3.94D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -388.217447487147     IErMin=13 ErrMin= 3.94D-09
 ErrMax= 3.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-14 BMatP= 6.46D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-06 0.178D-04-0.273D-04-0.181D-03-0.367D-03 0.400D-03
 Coeff-Com:  0.502D-02 0.378D-02-0.202D-01-0.631D-01 0.259D-02 0.374D+00
 Coeff-Com:  0.698D+00
 Coeff:     -0.646D-06 0.178D-04-0.273D-04-0.181D-03-0.367D-03 0.400D-03
 Coeff:      0.502D-02 0.378D-02-0.202D-01-0.631D-01 0.259D-02 0.374D+00
 Coeff:      0.698D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=6.81D-07 DE=-1.25D-12 OVMax= 9.79D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.34D-09    CP:  1.59D+00  1.17D+00  1.15D+00  1.17D+00  1.04D+00
                    CP:  1.04D+00  1.20D+00  1.18D+00  1.12D+00  1.18D+00
                    CP:  1.18D+00  1.18D+00  1.00D+00
 E= -388.217447487099     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 6.82D-10 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -388.217447487147     IErMin=14 ErrMin= 6.82D-10
 ErrMax= 6.82D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-16 BMatP= 1.20D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.551D-07-0.232D-05 0.633D-05 0.290D-04 0.269D-04-0.177D-03
 Coeff-Com: -0.913D-03 0.768D-04 0.890D-02 0.297D-02-0.315D-01-0.645D-01
 Coeff-Com:  0.511D-01 0.103D+01
 Coeff:      0.551D-07-0.232D-05 0.633D-05 0.290D-04 0.269D-04-0.177D-03
 Coeff:     -0.913D-03 0.768D-04 0.890D-02 0.297D-02-0.315D-01-0.645D-01
 Coeff:      0.511D-01 0.103D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.13D-09 MaxDP=1.83D-07 DE= 2.47D-11 OVMax= 2.88D-08

 SCF Done:  E(RwB97XD) =  -388.217447487     A.U. after   14 cycles
            NFock= 14  Conv=0.31D-08     -V/T= 2.0062
 KE= 3.858304849892D+02 PE=-1.907512625116D+03 EE= 6.292942810793D+02
 Leave Link  502 at Thu Jul  8 23:46:11 2021, MaxMem= 10737418240 cpu:            3549.4 elap:             222.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.10403923D+03

 Leave Link  801 at Thu Jul  8 23:46:12 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 3.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 1.99D-01 5.66D-02.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 3.90D-02 5.16D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 3.02D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 3.65D-04 4.13D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 2.15D-05 7.39D-04.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 6.08D-07 2.07D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 1.46D-08 2.74D-05.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 3.84D-10 4.21D-06.
     11 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 8.62D-12 5.74D-07.
      7 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 1.71D-13 5.49D-08.
      2 vectors produced by pass 11 Test12= 1.81D-13 8.33D-09 XBig12= 8.29D-15 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146981D+03
      2  0.188083D+01  0.128880D+03
      3 -0.342454D+01  0.146512D+01  0.817293D+02
 Isotropic polarizability for W=    0.085645      119.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.771024D+02 -0.150409D+02  0.137501D+02
      2   0.411378D+02  0.146308D+01 -0.139882D+02
      3   0.359647D+02  0.135778D+02  0.238054D+00
      4  -0.279502D+02 -0.347608D+02 -0.106535D+02
      5   0.151354D+02 -0.138192D+02  0.288418D+02
      6  -0.719048D+01 -0.988724D+00 -0.541861D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.403311D+00  0.105105D+01  0.245696D+01
      2   0.103927D+02 -0.573254D+01  0.110690D+02
      3   0.642542D+00  0.335226D+02  0.533195D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.316572D+01  0.129995D+02  0.141197D+02
      2  -0.138527D+01 -0.346299D+01 -0.712283D+01
      3  -0.129093D+02  0.758986D+02  0.662871D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.991727D+00 -0.140916D+01 -0.623576D+00
      2  -0.140916D+01  0.200188D+01 -0.255094D+01
      3  -0.623576D+00 -0.255094D+01 -0.100744D+01
 OR G Eigenvalues:    -3.2023    -0.4443     3.6493  Iso=    -0.0009
 Eigenvectors:
   (1)   0.510006   0.485985   0.709727
   (2)   0.835688  -0.084492  -0.542666
   (3)  -0.203762   0.869873  -0.449223
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0009 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       -0.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 2.15D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.98D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 2.64D-02 2.82D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 1.11D-03 6.55D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 1.65D-05 8.25D-04.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 3.69D-07 8.54D-05.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 5.78D-09 7.79D-06.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 5.54D-11 8.90D-07.
     30 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 3.95D-13 6.86D-08.
     10 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 4.99D-15 1.00D-08.
      4 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 1.24D-15 7.07D-09.
      1 vectors produced by pass 10 Test12= 3.02D-14 2.78D-09 XBig12= 7.33D-16 2.95D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 5.25D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 5.25D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146981D+03  0.188083D+01 -0.342454D+01
      2   0.188083D+01  0.128880D+03  0.146512D+01
      3  -0.342454D+01  0.146512D+01  0.817293D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.403311D+00  0.105105D+01  0.245696D+01
      2   0.103927D+02 -0.573254D+01  0.110690D+02
      3   0.642542D+00  0.335226D+02  0.533195D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.771024D+02 -0.150409D+02  0.137501D+02
      2   0.411378D+02  0.146308D+01 -0.139882D+02
      3   0.359647D+02  0.135778D+02  0.238054D+00
      4  -0.279502D+02 -0.347608D+02 -0.106535D+02
      5   0.151354D+02 -0.138192D+02  0.288418D+02
      6  -0.719048D+01 -0.988724D+00 -0.541861D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.352633D+00 -0.129461D+01 -0.773887D+00 -0.583320D+01 -0.302493D+00
      2  -0.129461D+01 -0.306384D+01 -0.716185D+00 -0.302493D+00 -0.244696D+01
      3  -0.773887D+00 -0.716185D+00 -0.168844D+01  0.603557D+00  0.524516D+00
                 6             7             8             9            10 
      1   0.603557D+00 -0.131966D+01 -0.869997D-01 -0.366897D+01 -0.578716D+01
      2   0.524516D+00 -0.869997D-01  0.549012D+00 -0.398361D+01  0.100310D+01
      3  -0.293865D+01 -0.366897D+01 -0.398361D+01 -0.142256D-01 -0.550078D+00
                11            12            13            14            15 
      1   0.100310D+01 -0.550078D+00  0.183660D+01  0.267464D+01  0.330987D+00
      2  -0.284661D+01 -0.986368D-02  0.267464D+01  0.226147D+01 -0.447367D+00
      3  -0.986368D-02 -0.304889D+01  0.330987D+00 -0.447367D+00  0.940739D+00
                16            17            18            19            20 
      1  -0.715664D+00  0.626841D+00 -0.552729D+01  0.112667D+01 -0.313148D+01
      2   0.626841D+00  0.266178D+00  0.773222D+00 -0.313148D+01 -0.389593D+01
      3  -0.552729D+01  0.773222D+00  0.141218D+01 -0.274455D+00  0.526655D+00
                21            22            23            24            25 
      1  -0.274455D+00  0.556878D+01 -0.677131D+00 -0.131991D+00  0.240093D+00
      2   0.526655D+00 -0.677131D+00  0.959304D+00 -0.413624D+00  0.940125D+00
      3  -0.413493D+00 -0.131991D+00 -0.413624D+00  0.256319D+01 -0.243065D+01
                26            27            28            29            30 
      1   0.940125D+00 -0.243065D+01  0.724908D+00  0.264138D+01 -0.286587D+00
      2  -0.480286D+00  0.363252D+01  0.264138D+01  0.726952D+01 -0.830761D-01
      3   0.363252D+01  0.144526D+01 -0.286587D+00 -0.830761D-01  0.175415D+01
                31            32            33            34            35 
      1   0.119034D+02  0.438704D+01 -0.925442D+00  0.161337D+01 -0.239479D+00
      2   0.438704D+01  0.626358D+01 -0.531671D+00 -0.239479D+00 -0.381205D+00
      3  -0.925442D+00 -0.531671D+00  0.140103D+01  0.158890D+01  0.306074D+01
                36            37            38            39            40 
      1   0.158890D+01  0.152684D+02 -0.173999D+01 -0.189861D+01 -0.601566D+01
      2   0.306074D+01 -0.173999D+01  0.383645D+01  0.831514D-01 -0.333328D+01
      3  -0.384094D-02 -0.189861D+01  0.831514D-01  0.217722D+01 -0.113053D+00
                41            42            43            44            45 
      1  -0.333328D+01 -0.113053D+00 -0.137354D+01 -0.500600D+00  0.324288D+01
      2  -0.250368D+00  0.569243D+00 -0.500600D+00  0.422540D+00 -0.890663D+00
      3   0.569243D+00  0.306092D+00  0.324288D+01 -0.890663D+00 -0.128199D+01
                46            47            48            49            50 
      1  -0.167178D+01  0.353664D+01  0.367775D+00 -0.592680D+01  0.730800D+00
      2   0.353664D+01  0.256653D+01 -0.373067D+00  0.730800D+00 -0.237789D+01
      3   0.367775D+00 -0.373067D+00  0.111507D+01  0.211876D+00  0.373326D+00
                51            52            53            54            55 
      1   0.211876D+00  0.464911D-01 -0.491722D+00  0.410497D+00 -0.397879D+01
      2   0.373326D+00 -0.491722D+00  0.534071D-01 -0.412511D+01  0.246463D+01
      3  -0.230726D+01  0.410497D+00 -0.412511D+01 -0.124781D+01  0.103509D+01
                56            57            58            59            60 
      1   0.246463D+01  0.103509D+01  0.303565D+01 -0.345771D+01  0.310168D+00
      2  -0.239563D+01  0.303018D+00 -0.345771D+01 -0.212623D+01 -0.164688D+01
      3   0.303018D+00 -0.210580D+01  0.310168D+00 -0.164688D+01  0.715351D+00
                61            62            63            64            65 
      1   0.307352D+01  0.265274D+00 -0.333633D+01 -0.418328D+01 -0.377878D+01
      2   0.265274D+00 -0.236441D+01  0.329848D+00 -0.377878D+01  0.117001D+01
      3  -0.333633D+01  0.329848D+00  0.841793D+01  0.217343D+01  0.672560D+00
                66            67            68            69            70 
      1   0.217343D+01 -0.383449D+01  0.865080D+00  0.871752D+00  0.362911D+01
      2   0.672560D+00  0.865080D+00  0.272191D+01  0.141877D+01  0.165522D+01
      3  -0.142701D+01  0.871752D+00  0.141877D+01  0.457889D+00 -0.249124D+01
                71            72            73            74            75 
      1   0.165522D+01 -0.249124D+01 -0.218181D+01  0.101444D+01 -0.182600D+00
      2   0.174713D+01  0.118930D+00  0.101444D+01 -0.216988D+01  0.915731D+00
      3   0.118930D+00 -0.605590D+01 -0.182600D+00  0.915731D+00 -0.131686D+00
                76            77            78            79            80 
      1   0.356212D+00 -0.386539D+01  0.968734D+00  0.569942D+00  0.181067D+01
      2  -0.386539D+01 -0.775985D+01 -0.515935D+00  0.181067D+01 -0.459566D-01
      3   0.968734D+00 -0.515935D+00 -0.351168D+01 -0.144529D+01 -0.591295D+01
                81            82            83            84            85 
      1  -0.144529D+01 -0.551791D+01 -0.417028D+01  0.203679D+00 -0.403305D+01
      2  -0.591295D+01 -0.417028D+01 -0.363383D+01  0.188854D+00 -0.471451D+01
      3   0.341012D+01  0.203679D+00  0.188854D+00 -0.505837D+00 -0.504484D-01
                86            87            88            89            90 
      1  -0.471451D+01 -0.504484D-01  0.367001D+00  0.165688D+00  0.128714D+00
      2  -0.656634D+01 -0.712508D-02  0.165688D+00 -0.397613D-01  0.126936D+00
      3  -0.712508D-02 -0.598305D+00  0.128714D+00  0.126936D+00 -0.387894D-02
                91            92            93            94            95 
      1  -0.130971D+02  0.134923D+01  0.140822D+01  0.149740D+01 -0.175135D+01
      2   0.134923D+01 -0.822766D+00 -0.153608D+00 -0.175135D+01  0.522902D+00
      3   0.140822D+01 -0.153608D+00 -0.936634D+00 -0.296700D+00  0.202311D+00
                96            97            98            99           100 
      1  -0.296700D+00  0.175093D+01 -0.330095D+00  0.840786D-02 -0.215909D+01
      2   0.202311D+00 -0.330095D+00  0.177051D+00  0.237443D-01  0.240151D+01
      3   0.166463D+00  0.840786D-02  0.237443D-01  0.992329D-01  0.353744D+00
               101           102           103           104           105 
      1   0.240151D+01  0.353744D+00  0.232416D+01 -0.370316D+01 -0.392024D+00
      2  -0.267212D+01 -0.396406D+00 -0.370316D+01  0.909028D+01  0.957740D+00
      3  -0.396406D+00 -0.409659D+00 -0.392024D+00  0.957740D+00  0.858794D+00
               106           107           108           109           110 
      1   0.370665D+00 -0.560481D+00 -0.851604D-01  0.122272D+01 -0.170368D+01
      2  -0.560481D+00  0.119098D+01  0.126074D+00 -0.170368D+01  0.196793D+01
      3  -0.851604D-01  0.126074D+00  0.593015D-01 -0.149701D+00  0.323718D+00
               111           112           113           114           115 
      1  -0.149701D+00 -0.127337D+01  0.173443D+01  0.148638D+00 -0.216337D+00
      2   0.323718D+00  0.173443D+01 -0.924636D+01 -0.961005D+00  0.272060D+00
      3   0.155374D+00  0.148638D+00 -0.961005D+00 -0.817989D+00 -0.436352D-01
               116           117           118           119           120 
      1   0.272060D+00 -0.436352D-01  0.270104D+01 -0.612952D+00 -0.197052D+01
      2  -0.959071D+00 -0.380982D-01 -0.612952D+00  0.703348D+00  0.106116D+00
      3  -0.380982D-01 -0.120052D+00 -0.197052D+01  0.106116D+00  0.181705D+01
               121           122           123           124           125 
      1  -0.102251D+01  0.155705D+01  0.100097D+00 -0.554669D+01  0.543503D+00
      2   0.155705D+01 -0.379748D+00 -0.915275D+00  0.543503D+00 -0.120157D+01
      3   0.100097D+00 -0.915275D+00 -0.347366D+00  0.381468D+01 -0.668442D+00
               126           127           128           129           130 
      1   0.381468D+01 -0.745425D+01 -0.852802D+00  0.144398D+01 -0.397624D+01
      2  -0.668442D+00 -0.852802D+00  0.308941D+01 -0.399854D+00  0.320776D+01
      3  -0.911004D+01  0.144398D+01 -0.399854D+00  0.171578D+01 -0.513660D+00
               131           132           133           134           135 
      1   0.320776D+01 -0.513660D+00  0.219223D+01 -0.116634D+01  0.107427D+01
      2   0.264242D+01  0.278686D+01 -0.116634D+01  0.325919D+01  0.732478D+00
      3   0.278686D+01  0.162776D-01  0.107427D+01  0.732478D+00 -0.632473D+01
               136           137           138           139           140 
      1   0.920307D+01  0.329176D+01 -0.177274D+01  0.288803D+01  0.212446D+01
      2   0.329176D+01  0.198180D+01 -0.628377D+00  0.212446D+01  0.165377D+01
      3  -0.177274D+01 -0.628377D+00  0.133284D+01 -0.602389D+00 -0.756456D+00
               141           142           143           144           145 
      1  -0.602389D+00 -0.399760D+01 -0.139532D+01  0.208768D+01  0.158633D+01
      2  -0.756456D+00 -0.139532D+01 -0.136233D+01  0.821731D+00  0.545408D+00
      3   0.484093D+00  0.208768D+01  0.821731D+00 -0.752010D+00  0.128204D+01
               146           147           148           149           150 
      1   0.545408D+00  0.128204D+01  0.133676D+00  0.432481D+00 -0.203041D+00
      2   0.122205D-01  0.145521D+00  0.432481D+00 -0.175818D+00  0.648526D+00
      3   0.145521D+00  0.916498D+00 -0.203041D+00  0.648526D+00 -0.439982D+00
               151           152           153           154           155 
      1   0.228618D+01  0.726211D-01  0.293249D+01  0.108203D+01  0.800655D+00
      2   0.726211D-01  0.144191D+01  0.640428D+00  0.800655D+00  0.273744D+00
      3   0.293249D+01  0.640428D+00  0.720222D+01 -0.943755D+00 -0.370938D+00
               156           157           158           159           160 
      1  -0.943755D+00  0.909019D+00  0.174380D+01 -0.629810D+00 -0.286131D+01
      2  -0.370938D+00  0.174380D+01  0.541422D+01 -0.257578D+01 -0.210780D+01
      3   0.374256D+00 -0.629810D+00 -0.257578D+01  0.229911D+01  0.144725D+01
               161           162           163           164           165 
      1  -0.210780D+01  0.144725D+01 -0.249566D+00  0.641758D+00  0.691950D+00
      2  -0.527500D+01  0.483477D+01  0.641758D+00 -0.798179D+00 -0.182622D+00
      3   0.483477D+01 -0.611672D+01  0.691950D+00 -0.182622D+00 -0.165345D+00
               166           167           168           169           170 
      1   0.137521D+01  0.130617D+01  0.194173D+00  0.103546D+01  0.313449D+00
      2   0.130617D+01  0.874218D+01  0.263449D+01  0.313449D+00  0.472203D+01
      3   0.194173D+00  0.263449D+01  0.203051D+01  0.541874D+00  0.340573D+01
               171           172           173           174           175 
      1   0.541874D+00  0.173786D+00  0.886906D-01  0.580450D+00  0.653940D+00
      2   0.340573D+01  0.886906D-01 -0.715854D+00  0.239187D+00 -0.258396D+00
      3   0.194465D+01  0.580450D+00  0.239187D+00 -0.117307D+01  0.122600D+00
               176           177           178           179           180 
      1  -0.258396D+00  0.122600D+00  0.160880D+01 -0.570772D+00  0.672108D+00
      2  -0.516067D+00  0.547514D+00 -0.570772D+00  0.156515D+01 -0.136624D+01
      3   0.547514D+00  0.772727D-02  0.672108D+00 -0.136624D+01  0.747008D+01
               181           182           183           184           185 
      1   0.126317D+02 -0.195178D+01 -0.282591D+00  0.817637D+00  0.791519D+00
      2  -0.195178D+01  0.146252D+01 -0.846106D-01  0.791519D+00 -0.386455D+00
      3  -0.282591D+00 -0.846106D-01  0.110186D+01  0.885312D-01 -0.342318D+00
               186           187           188           189           190 
      1   0.885312D-01 -0.160308D+01  0.342660D+00  0.114319D+01  0.207467D+00
      2  -0.342318D+00  0.342660D+00 -0.735573D+00 -0.257001D+00 -0.542869D+00
      3   0.150764D+00  0.114319D+01 -0.257001D+00  0.105352D+00 -0.454846D+00
               191           192           193           194           195 
      1  -0.542869D+00 -0.454846D+00 -0.138444D+01  0.508190D+00 -0.925543D-01
      2  -0.131884D+01 -0.105906D+00  0.508190D+00 -0.803994D+01 -0.154986D+01
      3  -0.105906D+00 -0.454226D+00 -0.925543D-01 -0.154986D+01 -0.143678D+01
               196           197           198 
      1  -0.114991D+01  0.441488D+00 -0.643650D-01
      2   0.441488D+00 -0.254942D+01 -0.138504D+01
      3  -0.643650D-01 -0.138504D+01 -0.535127D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.145532D+01 -0.188215D+00 -0.462597D+01  0.116583D+01  0.612164D-01
      2   0.809506D+00  0.114676D+01  0.311771D+01 -0.386630D+00 -0.737660D+00
      3  -0.721843D+01 -0.120503D+02 -0.239262D+00  0.807422D+01 -0.347128D+01
                 6             7             8             9            10 
      1  -0.189730D+01 -0.838187D+01  0.320611D+01  0.131776D+01  0.560266D+00
      2   0.784988D+01 -0.222991D+01  0.121189D+02  0.139600D+01  0.287875D+00
      3   0.240091D+00  0.137149D+01  0.211061D+01 -0.573776D+01  0.456403D+01
                11            12            13            14            15 
      1   0.522945D+00  0.835178D+00  0.123518D+01 -0.128373D+01  0.305392D+01
      2  -0.335935D+00  0.941698D+01 -0.216891D+01 -0.162609D+00 -0.190376D+01
      3  -0.897855D+01 -0.680952D-01  0.119878D+02  0.422950D+01 -0.178723D+01
                16            17            18            19            20 
      1   0.231826D+01  0.120964D+02  0.106595D+01  0.110548D+01 -0.842509D+00
      2   0.912076D+01 -0.345765D+01 -0.312494D+01  0.631378D+00  0.266110D-01
      3   0.103504D+01 -0.323908D+00  0.246911D+01 -0.315988D+01 -0.163117D+02
                21            22            23            24            25 
      1  -0.329491D+00 -0.113483D+01  0.491266D+00 -0.316868D+01  0.419275D+01
      2  -0.105973D+01  0.104834D+01  0.159984D+01 -0.691906D+01 -0.921505D+01
      3  -0.778901D+00 -0.414708D+00  0.140908D+01 -0.302061D+00  0.694629D+00
                26            27            28            29            30 
      1   0.232635D+01 -0.214297D+00 -0.175681D+01  0.185603D+01 -0.122331D+01
      2  -0.103600D+02 -0.978773D+00 -0.331140D+01 -0.147562D+01 -0.106803D+01
      3   0.109753D+01  0.563932D+01 -0.421768D+01  0.568480D+01  0.183256D+01
                31            32            33            34            35 
      1   0.187630D+01  0.565512D+00 -0.105019D+01 -0.262716D+01  0.637109D+01
      2   0.189057D+01 -0.188038D+01 -0.135857D+01 -0.151400D+02 -0.121720D+01
      3   0.975685D+01  0.212738D+02 -0.129279D+01  0.320414D+01 -0.164824D+01
                36            37            38            39            40 
      1   0.444668D+00  0.650912D+00  0.174865D+01  0.154198D+01  0.222670D+01
      2   0.147437D+01 -0.172306D+01 -0.120175D+01 -0.435804D+00 -0.101761D+01
      3   0.348486D+01 -0.847140D+01  0.115270D+02  0.149140D+01  0.994906D+01
                41            42            43            44            45 
      1  -0.226910D+00 -0.425517D+00  0.362645D+01  0.104581D+02 -0.223161D+00
      2   0.333149D+00  0.630041D+00 -0.128063D+02  0.326459D+00  0.145204D+01
      3  -0.625798D+01 -0.139928D+01 -0.740495D+00 -0.563055D+01 -0.251128D+01
                46            47            48            49            50 
      1   0.692797D+00 -0.629626D+00  0.432657D+01 -0.482730D+00 -0.905362D+00
      2  -0.292386D+01  0.204081D+01 -0.261947D+01 -0.125577D+00  0.787937D+00
      3   0.105071D+02 -0.377355D+01 -0.261636D+01  0.768911D+01 -0.756648D+01
                51            52            53            54            55 
      1  -0.360320D+01  0.439847D+01  0.654857D+00 -0.171792D+01 -0.133547D+01
      2   0.206803D+01 -0.143998D+02  0.186904D+01  0.201754D+01 -0.141226D+00
      3  -0.468022D-01 -0.426774D+01  0.105333D+01 -0.536916D+01 -0.259987D+01
                56            57            58            59            60 
      1   0.196673D+01 -0.134646D+01  0.287075D+01 -0.106097D+01 -0.115030D+01
      2   0.111910D+01 -0.116684D+01  0.145097D+01 -0.582069D+01  0.102941D+01
      3  -0.265233D+01 -0.119099D+01  0.119985D+02  0.767903D+01  0.448248D+01
                61            62            63            64            65 
      1  -0.322396D+01  0.631886D+01  0.307120D+01 -0.334352D+01 -0.114907D+01
      2  -0.104671D+02  0.743230D+00  0.128236D+02  0.706574D+01  0.335011D+01
      3  -0.343936D+01  0.740080D+01  0.196112D+01  0.858727D+01 -0.126533D+02
                66            67            68            69            70 
      1   0.179876D+01 -0.172157D+01 -0.345166D+01 -0.234759D+01  0.381643D+01
      2  -0.196655D+01  0.398775D+01  0.346382D+01  0.548772D+00 -0.114983D+02
      3   0.163593D+01 -0.859663D+01 -0.551374D+01 -0.350859D+01  0.855478D+00
                71            72            73            74            75 
      1   0.192061D+01  0.572691D+01  0.687342D+00 -0.264383D+01 -0.169800D+00
      2  -0.127560D+01 -0.123490D+02 -0.122115D+01  0.101760D+01  0.169680D+01
      3  -0.435112D+01 -0.317434D+01 -0.751727D+01  0.145704D+01 -0.158905D+01
                76            77            78            79            80 
      1  -0.790780D+00  0.481371D+01  0.686433D+01  0.547108D+01  0.212394D+02
      2   0.339237D+00  0.237317D+00 -0.233889D+01 -0.537707D+01 -0.536012D+01
      3   0.136084D+02 -0.584903D+01  0.382147D+01 -0.954663D+00  0.751709D+01
                81            82            83            84            85 
      1  -0.635799D+01  0.358817D+00  0.396817D+00 -0.237973D+01 -0.145890D+00
      2   0.268676D+01 -0.716390D+00 -0.741499D+00  0.304245D+01 -0.220725D-02
      3   0.141736D+01 -0.121341D+01 -0.476949D+01  0.294280D+00 -0.338427D+01
                86            87            88            89            90 
      1  -0.474316D-01 -0.324668D+01  0.123546D+01  0.171542D+01  0.274604D-01
      2  -0.167139D+00  0.301762D+01 -0.143738D+01 -0.128266D+01 -0.812822D-01
      3  -0.106948D+02  0.961849D-01 -0.374274D+00 -0.775262D+00  0.375546D+00
                91            92            93            94            95 
      1   0.460385D-01 -0.450623D+00  0.643032D+00 -0.219752D+00  0.138852D+00
      2  -0.202263D+01  0.245903D+00  0.619733D+01  0.732083D+00 -0.437342D+00
      3   0.223363D+01 -0.550474D+01 -0.308826D+00 -0.421474D+01  0.186385D+01
                96            97            98            99           100 
      1  -0.504102D+00 -0.501238D+00  0.416402D+00 -0.775869D-01 -0.935722D-01
      2  -0.943056D+00 -0.284512D+01  0.487408D+00 -0.512333D+00 -0.411711D+00
      3   0.589272D+00 -0.531768D+00  0.676240D+00 -0.178330D+00  0.937725D+00
               101           102           103           104           105 
      1   0.181282D+00  0.156785D+01  0.572499D-01  0.413933D+00 -0.432919D+01
      2   0.602587D+00  0.143525D+01  0.363876D+00 -0.174767D+01 -0.261890D+01
      3  -0.282887D+01 -0.372315D+00 -0.825330D+00  0.147674D+02  0.151158D+01
               106           107           108           109           110 
      1  -0.438844D+00  0.180916D+01 -0.426799D+00  0.195113D+00  0.130695D-01
      2  -0.103093D+01  0.634724D+00 -0.187788D+00  0.623290D+00 -0.696682D+00
      3  -0.250040D+00  0.141119D+01 -0.271095D+00 -0.647612D+01  0.553158D+01
               111           112           113           114           115 
      1   0.119659D+01 -0.261065D+00  0.635645D+00 -0.425723D+01 -0.501734D+00
      2   0.292892D+00 -0.880621D+00  0.959198D+00 -0.335470D+00 -0.112450D+01
      3   0.543435D+00  0.820002D+01 -0.118572D+02 -0.120131D+01  0.100181D+01
               116           117           118           119           120 
      1   0.208417D+01 -0.238600D+00 -0.720477D+00 -0.145745D+01  0.834988D+00
      2   0.232729D+00 -0.204221D+00 -0.124198D+01 -0.206214D-01  0.357947D+01
      3  -0.185775D+01  0.127471D+00 -0.853904D+00 -0.356272D+01  0.113335D+01
               121           122           123           124           125 
      1  -0.127101D+01 -0.511634D+00 -0.101941D+01  0.877775D+00  0.273802D+01
      2   0.272415D+00 -0.221786D-01 -0.957012D+00  0.167274D+01 -0.509640D+00
      3  -0.231205D+01 -0.854082D+00  0.193678D+01  0.182881D+01  0.242670D+01
               126           127           128           129           130 
      1  -0.343952D+01  0.268655D+01 -0.717935D-01  0.311884D+01 -0.224008D+01
      2  -0.144318D+02  0.800744D+01 -0.216194D+01  0.596568D+01 -0.269025D+01
      3  -0.236163D+00  0.201313D+02 -0.122037D+02 -0.150239D+01 -0.208514D+01
               131           132           133           134           135 
      1   0.899210D+01 -0.133326D+00  0.200018D+00  0.437529D+01 -0.103004D+02
      2   0.700782D+01  0.390856D+00 -0.248118D+00  0.280467D+01 -0.162205D+02
      3  -0.167176D+02 -0.784232D+01 -0.888245D+00 -0.764144D+01 -0.443989D+01
               136           137           138           139           140 
      1   0.232091D+01  0.495771D+00 -0.255644D+01  0.696174D+00  0.724566D+00
      2  -0.465206D+01 -0.180221D+01  0.602179D+01 -0.170349D+01 -0.183608D+01
      3   0.475487D+01 -0.416978D+01 -0.968628D+00  0.667846D+00 -0.218836D+01
               141           142           143           144           145 
      1  -0.152669D+01 -0.258088D+01  0.151116D+00  0.118852D+01 -0.109701D+01
      2   0.194905D+01  0.388413D+01  0.179441D+01 -0.264134D+01  0.167293D+01
      3   0.126932D+01 -0.220966D+01  0.310518D+01  0.796992D+00 -0.177833D+00
               146           147           148           149           150 
      1   0.212047D+00 -0.135688D+01  0.287012D+00 -0.129510D+01 -0.331636D+00
      2  -0.257714D+00  0.305644D+01 -0.765136D+00  0.104188D+01 -0.855221D+00
      3  -0.198683D+00  0.134442D+01  0.175799D+01  0.227046D+01 -0.152475D+01
               151           152           153           154           155 
      1  -0.351838D+01  0.269169D+01 -0.841914D+01  0.190779D+01  0.320778D+00
      2   0.283710D+01  0.148136D+01  0.160310D+02  0.435577D+00 -0.249792D+00
      3   0.360186D+01 -0.535878D+01  0.199670D+01  0.397703D+01  0.156978D+00
               156           157           158           159           160 
      1  -0.886308D+00  0.138755D+01  0.351891D+01 -0.666073D+01 -0.323632D+01
      2   0.128283D+01  0.101685D+00 -0.185944D+01  0.203920D+01 -0.616771D+00
      3  -0.209094D+01  0.173035D+01 -0.703599D+00  0.663805D+00 -0.631664D+01
               161           162           163           164           165 
      1  -0.834410D+01  0.137844D+02 -0.107298D+01  0.590173D+00  0.476967D+00
      2   0.376237D+01 -0.496830D+01  0.230245D+00 -0.339083D+00  0.720571D+00
      3  -0.222294D+00 -0.954317D+00 -0.943126D+00 -0.351217D+00  0.169042D+01
               166           167           168           169           170 
      1  -0.149962D+01 -0.735473D+01 -0.753840D+01 -0.154489D+01 -0.747356D+01
      2  -0.447335D+00  0.220968D+01  0.164217D+01 -0.681363D+00  0.234721D+01
      3   0.482037D+01 -0.478543D+01 -0.224300D+01  0.438300D+01 -0.401040D+01
               171           172           173           174           175 
      1  -0.628812D+01  0.843170D+00 -0.555589D+00 -0.182278D+01 -0.938260D-01
      2   0.133693D+01  0.214334D+01  0.493610D+00 -0.240477D+01  0.203078D+00
      3  -0.214619D+01 -0.234481D+00  0.148224D+01 -0.157621D+01  0.121543D+01
               176           177           178           179           180 
      1   0.978535D+00 -0.116756D+01  0.386886D+00  0.145743D+01  0.132944D+02
      2   0.126626D+01 -0.293672D+00 -0.249844D+01 -0.301400D+01  0.190302D+02
      3   0.155131D+01 -0.133798D+01 -0.175009D+01 -0.364260D+01  0.353523D+01
               181           182           183           184           185 
      1  -0.194421D+00  0.185061D+00  0.210622D+01  0.255958D+00 -0.654771D+00
      2  -0.399061D+01 -0.475323D-01  0.635425D+01  0.231206D+00 -0.972669D+00
      3  -0.173421D+02 -0.485474D+01  0.982525D+00 -0.167312D+01 -0.179265D+00
               186           187           188           189           190 
      1  -0.469722D+00  0.136546D+01  0.346650D+00  0.231606D+00 -0.985614D+00
      2   0.521710D+00  0.194439D+01 -0.375953D+00  0.212280D+00 -0.126402D+01
      3   0.109181D+01  0.151310D+01  0.184449D+01 -0.900373D+00  0.379222D+01
               191           192           193           194           195 
      1  -0.500646D+00 -0.174981D+01 -0.484776D+00 -0.527447D+01 -0.595706D+01
      2   0.198081D-01 -0.592991D+00 -0.433435D+00 -0.326304D+01 -0.316312D+01
      3   0.457409D+01  0.162093D+01  0.554669D+01  0.225341D+02  0.507176D+01
               196           197           198 
      1  -0.393390D+00 -0.210933D+01 -0.171658D+01
      2  -0.133962D+01 -0.268939D+01 -0.104903D+01
      3   0.223362D+01  0.681919D+01  0.411518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401990D+00 -0.246991D+02 -0.150811D+01  0.301040D+02  0.703932D+01
      2  -0.329849D+01  0.180545D+02 -0.770807D+00 -0.305066D+02 -0.123422D+02
      3   0.370048D+01  0.664460D+01  0.227892D+01  0.402590D+00  0.530283D+01
      4  -0.197691D+02  0.829331D+01  0.556643D+01  0.849938D+01 -0.129778D+02
      5   0.199697D+01  0.611931D+01  0.761997D+01 -0.299012D+00 -0.315837D+01
      6   0.526146D+01  0.230750D+01  0.103169D+02 -0.346578D+01  0.334445D+00
                 6             7             8             9            10 
      1   0.714321D+00  0.682420D+01  0.657846D+01  0.195248D+01 -0.638685D+01
      2   0.947269D+00 -0.501285D+01 -0.565744D+01 -0.845638D+01  0.211143D+01
      3  -0.166159D+01 -0.181135D+01 -0.921020D+00  0.650390D+01  0.427543D+01
      4  -0.415951D+01  0.465143D+01 -0.258493D+01  0.170997D+02  0.365524D+01
      5   0.169178D+02  0.244276D+02  0.189793D+02  0.246694D+01  0.991204D+01
      6   0.567428D+01  0.107979D+02  0.163981D+02 -0.214969D+01 -0.860650D+00
                11            12            13            14            15 
      1   0.205933D+01  0.702454D+01 -0.143233D+02 -0.250883D+02 -0.244114D+01
      2  -0.529822D-01 -0.354478D+01  0.125594D+02  0.256921D+02  0.375594D+01
      3  -0.200635D+01 -0.347976D+01  0.176393D+01 -0.603718D+00 -0.131481D+01
      4   0.245621D+02 -0.913815D+00 -0.298200D+02  0.854860D+01  0.361101D+01
      5  -0.152068D+01  0.203810D+02 -0.573401D+01  0.273132D+01 -0.426662D+01
      6  -0.103489D+01 -0.205476D+01  0.315853D+01 -0.759641D+00 -0.714918D+01
                16            17            18            19            20 
      1   0.105274D+02 -0.395095D+01  0.153592D+02  0.131589D+02  0.217666D+02
      2  -0.357155D+01  0.259577D+01 -0.212376D+02 -0.119715D+02 -0.156015D+02
      3  -0.695583D+01  0.135518D+01  0.587844D+01 -0.118739D+01 -0.616510D+01
      4  -0.647125D+01 -0.944480D+00 -0.231013D+01  0.122727D+02 -0.123962D+02
      5   0.379520D+02 -0.416068D+01 -0.658793D+01  0.132169D+01 -0.416077D+01
      6  -0.283936D+00  0.521860D+01 -0.160416D+01 -0.253107D+01  0.498454D+01
                21            22            23            24            25 
      1  -0.709239D+00 -0.225351D+02  0.128348D+02  0.108298D+01  0.788888D-02
      2   0.201798D+00  0.216609D+02 -0.212859D+02 -0.418268D+01  0.202845D+01
      3   0.507441D+00  0.874249D+00  0.845107D+01  0.309970D+01 -0.203634D+01
      4  -0.374367D+01  0.109271D+02  0.162038D+01  0.212669D+01 -0.431393D+01
      5  -0.334347D+01 -0.608108D+00  0.269665D+01 -0.136859D+02  0.121011D+02
      6  -0.541607D+00  0.163863D+01 -0.496058D+01  0.774211D+01 -0.763580D+01
                26            27            28            29            30 
      1  -0.213552D+01 -0.418106D+01 -0.882821D+01 -0.268685D+02 -0.972584D+00
      2  -0.275564D+01 -0.602233D+01  0.759634D+01  0.199983D+02 -0.147124D+01
      3   0.489116D+01  0.102034D+02  0.123187D+01  0.687023D+01  0.244383D+01
      4   0.628353D+01 -0.166224D+02 -0.961381D+01 -0.905177D+01 -0.365356D+00
      5  -0.161187D+02 -0.208161D+01 -0.153066D+01  0.123210D+00 -0.124384D+01
      6   0.136411D+02  0.233129D+01 -0.195032D+00 -0.338511D+01  0.283693D+01
                31            32            33            34            35 
      1  -0.119677D+02 -0.884053D+01 -0.758780D+00  0.169888D+01  0.742425D+00
      2   0.977166D+00  0.829817D+01  0.274197D+00 -0.245604D+01 -0.769783D+00
      3   0.109905D+02  0.542364D+00  0.484583D+00  0.757163D+00  0.273582D-01
      4   0.686915D+01 -0.875946D+01 -0.207355D+01 -0.791427D+00  0.203514D+01
      5  -0.276641D+01 -0.211054D+01 -0.884789D+00  0.136259D+01 -0.323243D+01
      6  -0.738219D+01 -0.170181D+01  0.288927D+01  0.241971D+01  0.106082D+02
                36            37            38            39            40 
      1  -0.127476D+02 -0.242217D+02  0.513723D+01 -0.689427D+00 -0.297907D+01
      2   0.266400D+01  0.855258D+01 -0.115382D+01  0.297078D+00  0.553131D+01
      3   0.100836D+02  0.156691D+02 -0.398341D+01  0.392349D+00 -0.255224D+01
      4  -0.178119D+01 -0.605838D+01  0.714531D+01  0.757475D+00 -0.992137D+01
      5   0.194331D+01 -0.738797D+01 -0.248158D+00  0.120156D+01  0.552309D+00
      6  -0.123608D+01  0.555551D+00 -0.189816D+01 -0.212084D+01  0.544934D+01
                41            42            43            44            45 
      1  -0.279305D+01  0.101521D+01  0.422327D+01 -0.211387D+01 -0.841447D+01
      2   0.111131D+02  0.128290D+01 -0.752872D+00  0.212417D+01 -0.314390D+01
      3  -0.832004D+01 -0.229811D+01 -0.347040D+01 -0.102942D-01  0.115584D+02
      4   0.685126D+01  0.341786D+01 -0.177081D+01  0.414655D+01 -0.152907D+01
      5   0.240487D+01  0.192085D+00  0.366973D+01  0.104740D+01  0.576691D+00
      6   0.912599D+00 -0.576241D+00 -0.145299D+01  0.445328D+01  0.899578D+00
                46            47            48            49            50 
      1   0.793906D+01  0.116531D+02 -0.111834D+01  0.387570D+01  0.631270D+01
      2  -0.535231D+01 -0.113117D+02  0.167384D+01  0.485763D+01 -0.139548D+02
      3  -0.258675D+01 -0.341365D+00 -0.555506D+00 -0.873332D+01  0.764205D+01
      4   0.104075D+02 -0.212395D+02 -0.221999D+01  0.160291D+02  0.128474D+02
      5   0.142625D+00 -0.234403D+01 -0.622319D+01  0.164591D+01  0.704067D+00
      6  -0.395331D+01  0.288236D+01 -0.858321D+01  0.352372D+00 -0.471641D+01
                51            52            53            54            55 
      1   0.205851D+01 -0.850936D+00  0.628108D-01 -0.170364D+02  0.171190D+02
      2  -0.360547D+01  0.200726D+01 -0.365625D+01  0.438401D+01 -0.500817D+01
      3   0.154697D+01 -0.115633D+01  0.359344D+01  0.126523D+02 -0.121108D+02
      4   0.243223D+00  0.258015D+01  0.435517D+01  0.712964D+01  0.111785D+02
      5   0.219478D+01  0.123606D+01  0.742184D+01  0.499834D+01  0.451128D+01
      6   0.806252D+01 -0.239721D+01  0.179649D+02  0.492926D+01  0.816587D-02
                56            57            58            59            60 
      1   0.100021D+01 -0.931028D+00  0.515916D+01 -0.819899D+01  0.142954D+01
      2   0.235699D+01 -0.383601D+01 -0.476014D+00  0.239648D-01  0.954693D+00
      3  -0.335720D+01  0.476703D+01 -0.468314D+01  0.817502D+01 -0.238423D+01
      4  -0.120141D+02  0.786553D+00 -0.229148D+02 -0.607689D+01 -0.834479D+01
      5   0.165090D+01 -0.100975D+02  0.233762D+01 -0.827580D+01  0.377269D+01
      6  -0.383733D+01  0.342059D+01 -0.605565D+01  0.316568D+01 -0.266159D+01
                61            62            63            64            65 
      1  -0.114580D+02  0.223610D+01  0.376524D+01 -0.161654D+02 -0.186923D+02
      2  -0.109778D+02  0.345514D+01  0.113344D+02  0.192697D+01  0.104967D+02
      3   0.224358D+02 -0.569123D+01 -0.150996D+02  0.142384D+02  0.819563D+01
      4   0.133906D+01 -0.134666D+02  0.502013D+01 -0.222311D+02 -0.662120D+01
      5  -0.162554D+02  0.313486D+01  0.349627D+02  0.146197D+02  0.517873D+01
      6   0.590433D+01 -0.264918D+00 -0.798004D+01  0.632235D+01  0.303750D+01
                66            67            68            69            70 
      1   0.922379D+01 -0.205719D+02  0.126051D+01  0.156266D+01  0.154038D+02
      2  -0.169379D+01  0.115176D+02  0.174636D+01  0.982852D+00 -0.138802D-01
      3  -0.753000D+01  0.905429D+01 -0.300687D+01 -0.254552D+01 -0.153899D+02
      4   0.645527D+01 -0.300442D+01  0.134646D+02  0.716531D+01  0.135220D+02
      5  -0.767579D+01  0.628270D+01  0.610475D+01  0.139647D+01 -0.139870D+02
      6  -0.323724D+01  0.445206D+01  0.603703D+01  0.173540D+01 -0.666696D+01
                71            72            73            74            75 
      1   0.695869D+01 -0.864371D+01 -0.673050D+01  0.109627D+02 -0.413046D+01
      2  -0.176991D+01  0.159823D+02  0.101085D+02 -0.651798D+01  0.454095D+01
      3  -0.518878D+01 -0.733863D+01 -0.337803D+01 -0.444476D+01 -0.410499D+00
      4   0.970409D+01 -0.669772D+01  0.448150D+01  0.546723D+01 -0.501008D-01
      5  -0.257239D+01 -0.270867D+02 -0.154313D+01  0.955883D+00 -0.133012D+01
      6   0.338501D+01 -0.988704D+01  0.906853D+00  0.601944D+01 -0.489107D+00
                76            77            78            79            80 
      1   0.239847D+02  0.284508D+02  0.468693D+00 -0.972132D+01 -0.165154D+01
      2  -0.183236D+02 -0.302829D+02 -0.807034D+01  0.643203D+01 -0.895678D+01
      3  -0.566101D+01  0.183213D+01  0.760165D+01  0.328929D+01  0.106083D+02
      4   0.224015D+01 -0.593551D+01  0.134128D+00  0.229396D+00  0.245093D+01
      5   0.249254D+01  0.874615D+00 -0.631905D+01 -0.173260D+01 -0.963476D+01
      6   0.496751D+01 -0.575236D+01 -0.206409D+02 -0.108828D+02 -0.387728D+02
                81            82            83            84            85 
      1   0.269750D+02  0.248223D+02  0.151644D+02 -0.313012D+00  0.104277D+02
      2  -0.258219D+02 -0.442379D+01  0.128261D+01  0.119610D+00  0.733415D+01
      3  -0.115310D+01 -0.203986D+02 -0.164470D+02  0.193401D+00 -0.177618D+02
      4  -0.737682D+01  0.370398D+02  0.331388D+02 -0.118005D+01  0.372947D+02
      5   0.747013D+01 -0.571954D+00 -0.756513D+00  0.552302D+01  0.760467D+00
      6   0.162528D+02 -0.123059D+01 -0.126988D+01  0.306669D+01 -0.198202D+00
                86            87            88            89            90 
      1   0.468867D+01  0.132344D+00 -0.195735D+01 -0.149367D+01 -0.848021D-01
      2   0.172640D+02 -0.343476D+00  0.109903D+01  0.113426D+01  0.102595D+01
      3  -0.219527D+02  0.211132D+00  0.858325D+00  0.359410D+00 -0.941152D+00
      4   0.458405D+02  0.515803D-01 -0.161249D+01 -0.506275D+00  0.129453D+01
      5   0.874622D+00  0.434201D+01  0.624591D+00 -0.482069D-01 -0.450079D+00
      6  -0.527632D+00  0.524701D+01  0.459578D+00  0.955841D+00 -0.170333D-01
                91            92            93            94            95 
      1   0.983279D+02 -0.963920D+01 -0.885732D+01 -0.980607D+01  0.986279D+01
      2  -0.572670D+02  0.520821D+01  0.620118D+01  0.485113D+01 -0.481916D+01
      3  -0.410609D+02  0.443100D+01  0.265615D+01  0.495494D+01 -0.504362D+01
      4  -0.138514D+02  0.964300D+01  0.132070D+01  0.163196D+02 -0.469693D+01
      5  -0.129874D+02  0.135209D+01  0.106215D+02  0.249500D+01 -0.165726D+01
      6   0.219304D+00 -0.685309D+00 -0.685151D+00 -0.116799D+01  0.282642D+00
                96            97            98            99           100 
      1   0.143490D+01 -0.123900D+02  0.165274D+01  0.248108D+01  0.567675D+01
      2  -0.108946D+01  0.744115D+01 -0.858959D+00 -0.134167D+01  0.218053D+01
      3  -0.345436D+00  0.494881D+01 -0.793779D+00 -0.113941D+01 -0.785728D+01
      4  -0.169293D+01  0.292174D+01 -0.136632D+01 -0.774565D+00 -0.173896D+02
      5  -0.134644D+01  0.224109D+01 -0.110644D-01 -0.198726D+01 -0.203380D+01
      6   0.197576D+01 -0.205871D+00  0.767441D+00  0.437235D+00  0.177249D+01
               101           102           103           104           105 
      1  -0.424122D+01 -0.527809D+00 -0.152379D-01 -0.141503D+02 -0.152405D+01
      2  -0.425025D+01 -0.206235D-03 -0.100877D+02  0.345179D+02  0.238319D+01
      3   0.849147D+01  0.528015D+00  0.101030D+02 -0.203675D+02 -0.859141D+00
      4   0.211895D+02  0.267551D+01  0.247758D+02 -0.463550D+02 -0.466107D+01
      5   0.232147D+01  0.353110D+01  0.234242D+01 -0.361039D+01 -0.429252D+01
      6  -0.216057D+01 -0.231822D+01 -0.255990D+01  0.633738D+01  0.722637D+01
               106           107           108           109           110 
      1  -0.719118D+00 -0.105315D+01 -0.150705D+01 -0.453554D+01  0.781711D+01
      2  -0.747425D+00  0.330224D+01  0.244357D+01  0.661123D+01 -0.987303D+01
      3   0.146654D+01 -0.224909D+01 -0.936518D+00 -0.207569D+01  0.205591D+01
      4   0.417002D+01 -0.610112D+01 -0.143944D+01 -0.326847D+01  0.767625D+01
      5   0.110385D+01 -0.828965D+00 -0.871289D+00  0.327975D+00 -0.564760D-01
      6  -0.120671D+01  0.283526D+01  0.133222D+01  0.120292D+01 -0.236481D+01
               111           112           113           114           115 
      1   0.159753D+01  0.629197D+01 -0.362952D+02 -0.413248D+01  0.102526D+01
      2  -0.113018D+01 -0.817601D+01  0.510290D+02  0.415166D+01 -0.128478D+01
      3  -0.467351D+00  0.188404D+01 -0.147338D+02 -0.191830D-01  0.259521D+00
      4   0.298314D+00  0.601360D+01  0.283502D+01  0.498965D+00  0.406323D+00
      5   0.118885D+01 -0.255707D-01  0.172154D+01  0.367596D+00  0.519875D+00
      6  -0.153469D+01 -0.127629D+01  0.769467D+01  0.737396D+01 -0.331330D+00
               116           117           118           119           120 
      1  -0.357289D+01 -0.131277D+01  0.515175D+01 -0.817382D+00 -0.378427D+01
      2   0.470754D+01  0.177984D+01 -0.817537D+01  0.213530D+00  0.574742D+01
      3  -0.113464D+01 -0.467072D+00  0.302362D+01  0.603853D+00 -0.196315D+01
      4  -0.395349D+00 -0.153030D+01 -0.396251D+01  0.698715D+01  0.158554D+01
      5  -0.649835D+00 -0.744307D+00 -0.107058D+02  0.102682D+01  0.149767D+02
      6   0.248486D+01  0.122257D+01  0.192731D+01 -0.683123D-01 -0.163254D+01
               121           122           123           124           125 
      1  -0.411200D+00 -0.161919D+01 -0.328385D+00 -0.169190D+01 -0.869992D+00
      2  -0.631624D+00 -0.493370D+00  0.258151D+00  0.128980D+02 -0.100045D+01
      3   0.104282D+01  0.211256D+01  0.702340D-01 -0.112061D+02  0.187044D+01
      4   0.975211D+01 -0.288826D+01 -0.380292D+01  0.443883D+01 -0.588194D+01
      5   0.231535D+00 -0.372421D+01 -0.143187D+01  0.229471D+02 -0.355886D+01
      6  -0.148403D+01  0.899622D+00  0.764892D+01 -0.390564D+01  0.522379D+01
               126           127           128           129           130 
      1  -0.125600D+02 -0.582650D+02  0.889204D+01  0.437580D+01 -0.318165D+01
      2  -0.222326D+02  0.333870D+02 -0.129694D+02 -0.455445D+01 -0.436875D+01
      3   0.347926D+02  0.248780D+02  0.407732D+01  0.178653D+00  0.755040D+01
      4  -0.354112D+01  0.127579D+02  0.150790D+02 -0.375937D+01  0.218864D+02
      5  -0.379153D+02  0.540081D+01 -0.178995D+01  0.885292D+01 -0.401221D+01
      6   0.849052D+01 -0.696332D+01  0.273775D+01 -0.574095D+01  0.451349D+01
               131           132           133           134           135 
      1   0.235190D+02  0.542116D+01  0.964479D+01  0.292036D+01  0.160192D+02
      2  -0.261484D+02 -0.115327D+02 -0.132884D+01 -0.127670D+02  0.279113D+00
      3   0.262938D+01  0.611155D+01 -0.831596D+01  0.984665D+01 -0.162983D+02
      4   0.297584D+01  0.129513D+02 -0.971230D+01  0.149854D+02 -0.285183D+01
      5   0.153081D+02  0.496794D+00  0.741020D+01  0.178992D+01 -0.266550D+02
      6  -0.136016D+02  0.251500D+00 -0.436342D+01 -0.124365D+01  0.177880D+02
               136           137           138           139           140 
      1   0.492887D+02  0.139414D+02 -0.915138D+01  0.112173D+02  0.547106D+01
      2  -0.221785D+02 -0.314606D+01  0.415555D+01 -0.149748D+01  0.282878D+01
      3  -0.271102D+02 -0.107954D+02  0.499582D+01 -0.971986D+01 -0.829984D+01
      4   0.345970D+02  0.203830D+02 -0.663754D+01  0.197039D+02  0.136551D+02
      5  -0.137079D+02 -0.442018D+01  0.109821D+02 -0.415646D+01 -0.494379D+01
      6  -0.573120D+01 -0.290422D+01  0.444966D+01 -0.300710D+01 -0.300586D+01
               141           142           143           144           145 
      1  -0.153386D+01 -0.161735D+02 -0.323620D+01  0.687279D+01  0.703699D+01
      2  -0.614219D+00  0.833023D+01 -0.113660D+00 -0.594768D+01 -0.611865D+01
      3   0.214808D+01  0.784331D+01  0.334986D+01 -0.925113D+00 -0.918336D+00
      4  -0.539575D+01 -0.127821D+02 -0.978361D+01  0.767453D+01  0.525685D+01
      5   0.342294D+01  0.148108D+02  0.556364D+01 -0.680667D+01  0.771893D+01
      6   0.323676D+01  0.671528D+01  0.382316D+01 -0.342735D+01  0.226705D+01
               146           147           148           149           150 
      1   0.350741D+01  0.436082D+01  0.287112D+00 -0.117370D+01 -0.160567D+01
      2  -0.205820D+01 -0.464779D+01  0.140237D+01 -0.993253D+00  0.236239D+01
      3  -0.144921D+01  0.286964D+00 -0.168948D+01  0.216696D+01 -0.756717D+00
      4   0.263486D+01  0.200914D+01  0.373684D+01 -0.104736D+01  0.335013D+01
      5   0.520205D+00  0.926941D+01 -0.157441D+01  0.322468D+01 -0.241823D+01
      6   0.102112D+01  0.174121D+01  0.111941D+01  0.872886D+00  0.469158D+01
               151           152           153           154           155 
      1   0.841917D+01 -0.209316D+01 -0.157564D+01  0.829601D+00  0.277072D+00
      2  -0.114692D+02  0.172261D+01 -0.185211D+02 -0.149838D+01 -0.776963D-01
      3   0.305006D+01  0.370551D+00  0.200967D+02  0.668774D+00 -0.199376D+00
      4   0.492800D+01  0.769574D+01  0.676443D+01  0.331958D+01  0.675402D+01
      5   0.185489D+02  0.357811D+01  0.343037D+02 -0.209041D+01 -0.345941D+01
      6   0.638448D+01  0.485332D+01  0.150331D+02 -0.573001D+01 -0.204368D+01
               156           157           158           159           160 
      1  -0.356936D+00 -0.507399D+01 -0.230492D+02  0.111998D+02  0.430491D+01
      2  -0.255920D+00  0.609696D+01  0.264226D+02 -0.100587D+02 -0.318602D+01
      3   0.612856D+00 -0.102296D+01 -0.337333D+01 -0.114116D+01 -0.111890D+01
      4  -0.499567D+01  0.531713D+01  0.837480D+01 -0.410122D+01 -0.938095D+01
      5   0.617000D+01 -0.233376D+01 -0.474151D+01  0.447730D+01  0.705013D+01
      6   0.208985D+01 -0.428418D+01 -0.176583D+02  0.177261D+02  0.948528D+01
               161           162           163           164           165 
      1   0.227110D+02 -0.251209D+02  0.270332D-01  0.401607D+01  0.216959D+01
      2  -0.184987D+02  0.122404D+02  0.197065D+01 -0.466595D+01 -0.173922D+01
      3  -0.421235D+01  0.128805D+02 -0.199768D+01  0.649881D+00 -0.430365D+00
      4  -0.934056D+01  0.729470D+01  0.115395D+01  0.748631D+01  0.345446D+01
      5   0.966798D+01 -0.112077D+02  0.965092D+00  0.167006D+01  0.259281D+01
      6   0.322296D+02 -0.338011D+02  0.436793D+01 -0.129457D+01 -0.786595D+00
               166           167           168           169           170 
      1  -0.305793D+01 -0.353203D+02 -0.106113D+02  0.485528D+00 -0.194640D+02
      2   0.476493D+01  0.512064D+02  0.154539D+02  0.128160D+01  0.260246D+02
      3  -0.170700D+01 -0.158862D+02 -0.484259D+01 -0.176712D+01 -0.656058D+01
      4   0.692543D+01  0.103215D+02  0.300901D+01  0.542470D+01  0.555678D+01
      5   0.159941D+01  0.354464D+01  0.332099D+01  0.348922D+01  0.513402D+01
      6   0.186801D+01  0.210296D+02  0.157878D+02  0.403072D+01  0.244524D+02
               171           172           173           174           175 
      1  -0.153711D+02  0.352043D+01 -0.244870D+01  0.540042D+01  0.947896D+00
      2   0.141923D+02 -0.371578D+01  0.288495D+01 -0.681048D+00 -0.893909D+00
      3   0.117881D+01  0.195348D+00 -0.436253D+00 -0.471938D+01 -0.539866D-01
      4   0.412155D+01 -0.288332D+00 -0.203043D+01 -0.153575D+01 -0.462660D+00
      5   0.224003D+01  0.156229D+01  0.254910D+00 -0.835532D+00  0.808992D+00
      6   0.142362D+02 -0.142516D+01 -0.167548D+01  0.340915D+01 -0.150145D+00
               176           177           178           179           180 
      1  -0.555744D+01  0.193515D+01  0.673576D+01  0.377893D+01 -0.175464D+02
      2   0.416071D+01 -0.218640D+01 -0.394839D+01 -0.286832D+01 -0.916821D+01
      3   0.139673D+01  0.251248D+00 -0.278737D+01 -0.910610D+00  0.267146D+02
      4  -0.127567D+01  0.197428D+01 -0.694854D+01  0.770803D+01 -0.301500D+01
      5   0.158417D+01 -0.232250D+00  0.782141D+01 -0.612274D+01  0.325719D+02
      6  -0.172835D+01  0.576023D+01 -0.199770D+01  0.914290D+01 -0.252597D+02
               181           182           183           184           185 
      1   0.858313D+02 -0.835320D+01 -0.339108D+01  0.603753D+01  0.365129D+01
      2  -0.441273D+02  0.742458D+00  0.142106D+01 -0.584553D+01  0.779223D+00
      3  -0.417040D+02  0.761075D+01  0.197002D+01 -0.191999D+00 -0.443051D+01
      4  -0.364132D+02  0.163460D+02  0.756382D+00  0.759437D+01 -0.315314D+01
      5   0.202761D+01 -0.512320D+00  0.108153D+02  0.582521D+00 -0.159378D+01
      6   0.183812D+01  0.907187D+00 -0.420786D+01  0.282442D+00  0.109669D+01
               186           187           188           189           190 
      1  -0.682817D+00 -0.781309D+01 -0.168661D+00  0.540606D+01  0.278021D+01
      2   0.120282D+01  0.415611D+01  0.187520D+01 -0.467611D+01  0.702710D+00
      3  -0.520002D+00  0.365698D+01 -0.170654D+01 -0.729952D+00 -0.348292D+01
      4  -0.170337D+01  0.411488D+01 -0.371450D+01 -0.274816D+01 -0.139373D+01
      5   0.947949D+00  0.107198D+02 -0.167656D+01 -0.479673D+00 -0.137255D+01
      6   0.751605D+00 -0.316032D+01  0.187030D+01 -0.628827D+00  0.197082D+01
               191           192           193           194           195 
      1  -0.792736D+01 -0.227757D+01 -0.566376D+01 -0.269247D+02 -0.581354D+01
      2   0.918654D+01  0.224999D+01  0.176155D+01  0.470777D+02  0.962694D+01
      3  -0.125918D+01  0.275831D-01  0.390220D+01 -0.201530D+02 -0.381339D+01
      4  -0.552670D+00  0.120065D+01  0.921955D+01 -0.322882D+02 -0.602294D+01
      5  -0.439996D+00 -0.124752D+01 -0.621459D+00 -0.795835D+01 -0.697175D+01
      6   0.724938D+00  0.260179D+01 -0.194871D+00  0.721449D+01  0.897595D+01
               196           197           198 
      1  -0.424252D+01 -0.681463D+01 -0.721534D+01
      2   0.135876D+01  0.117546D+02  0.575740D+01
      3   0.288376D+01 -0.493996D+01  0.145794D+01
      4   0.505727D+01 -0.108356D+02 -0.418150D+01
      5   0.919961D+00 -0.582098D+01 -0.208478D+01
      6   0.174142D+00  0.885336D+01  0.450340D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 00:21:04 2021, MaxMem= 10737418240 cpu:           33431.9 elap:            2092.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30141 -10.29640 -10.29509 -10.29489 -10.29480
 Alpha  occ. eigenvalues --  -10.29440 -10.29421 -10.29393 -10.29137 -10.28523
 Alpha  occ. eigenvalues --   -0.97705  -0.91712  -0.86568  -0.82772  -0.81093
 Alpha  occ. eigenvalues --   -0.74672  -0.70419  -0.66951  -0.65579  -0.59585
 Alpha  occ. eigenvalues --   -0.55934  -0.54907  -0.53156  -0.51313  -0.51038
 Alpha  occ. eigenvalues --   -0.48988  -0.46911  -0.45969  -0.45228  -0.43136
 Alpha  occ. eigenvalues --   -0.41858  -0.41182  -0.40507  -0.39923  -0.32371
 Alpha  occ. eigenvalues --   -0.30940
 Alpha virt. eigenvalues --    0.03688   0.04130   0.04381   0.04800   0.05532
 Alpha virt. eigenvalues --    0.05841   0.06126   0.06437   0.06932   0.07216
 Alpha virt. eigenvalues --    0.07660   0.08086   0.08777   0.10261   0.11623
 Alpha virt. eigenvalues --    0.12060   0.13138   0.13416   0.13599   0.13787
 Alpha virt. eigenvalues --    0.14051   0.14443   0.14877   0.15152   0.15393
 Alpha virt. eigenvalues --    0.16313   0.16725   0.16954   0.17164   0.17626
 Alpha virt. eigenvalues --    0.18026   0.18147   0.18986   0.19247   0.19814
 Alpha virt. eigenvalues --    0.20211   0.20575   0.20960   0.21552   0.21808
 Alpha virt. eigenvalues --    0.22031   0.23396   0.23555   0.24671   0.25215
 Alpha virt. eigenvalues --    0.25553   0.26109   0.26683   0.27223   0.27519
 Alpha virt. eigenvalues --    0.28224   0.28667   0.28973   0.29432   0.29897
 Alpha virt. eigenvalues --    0.30435   0.30858   0.31383   0.31529   0.32407
 Alpha virt. eigenvalues --    0.33661   0.33869   0.34415   0.35170   0.35931
 Alpha virt. eigenvalues --    0.36374   0.36866   0.37773   0.38227   0.38772
 Alpha virt. eigenvalues --    0.39564   0.39906   0.40396   0.40728   0.41777
 Alpha virt. eigenvalues --    0.42154   0.43553   0.43800   0.44617   0.45110
 Alpha virt. eigenvalues --    0.45677   0.46290   0.46782   0.47678   0.48329
 Alpha virt. eigenvalues --    0.48574   0.48834   0.50355   0.50615   0.52000
 Alpha virt. eigenvalues --    0.52157   0.52971   0.53257   0.53719   0.54737
 Alpha virt. eigenvalues --    0.55049   0.55254   0.56245   0.57442   0.58211
 Alpha virt. eigenvalues --    0.59075   0.59880   0.60746   0.60967   0.61437
 Alpha virt. eigenvalues --    0.61799   0.62400   0.62737   0.63552   0.64116
 Alpha virt. eigenvalues --    0.64608   0.64821   0.65349   0.65598   0.65813
 Alpha virt. eigenvalues --    0.66582   0.66960   0.67753   0.69040   0.69783
 Alpha virt. eigenvalues --    0.70871   0.71372   0.71928   0.72280   0.73231
 Alpha virt. eigenvalues --    0.73409   0.73860   0.74806   0.75457   0.75829
 Alpha virt. eigenvalues --    0.77129   0.77611   0.77795   0.78423   0.78985
 Alpha virt. eigenvalues --    0.80195   0.80829   0.82428   0.82839   0.83091
 Alpha virt. eigenvalues --    0.83981   0.85060   0.85666   0.85955   0.86710
 Alpha virt. eigenvalues --    0.86925   0.87335   0.87489   0.88855   0.89481
 Alpha virt. eigenvalues --    0.90332   0.91575   0.92209   0.94333   0.95258
 Alpha virt. eigenvalues --    0.96054   0.97156   0.97808   0.99025   1.00958
 Alpha virt. eigenvalues --    1.03078   1.03710   1.04374   1.05689   1.07318
 Alpha virt. eigenvalues --    1.08957   1.09882   1.10915   1.11378   1.12387
 Alpha virt. eigenvalues --    1.13304   1.15459   1.16971   1.18531   1.20255
 Alpha virt. eigenvalues --    1.21525   1.23560   1.23832   1.28358   1.29751
 Alpha virt. eigenvalues --    1.30747   1.34153   1.37534   1.39428   1.40272
 Alpha virt. eigenvalues --    1.41414   1.41945   1.43031   1.45278   1.45903
 Alpha virt. eigenvalues --    1.46947   1.47225   1.48813   1.49987   1.51114
 Alpha virt. eigenvalues --    1.51911   1.52287   1.54788   1.56475   1.58036
 Alpha virt. eigenvalues --    1.59225   1.60699   1.61879   1.62581   1.64662
 Alpha virt. eigenvalues --    1.65436   1.67201   1.67635   1.68953   1.69620
 Alpha virt. eigenvalues --    1.71336   1.72070   1.73550   1.75285   1.76048
 Alpha virt. eigenvalues --    1.76886   1.77716   1.78383   1.79251   1.82030
 Alpha virt. eigenvalues --    1.82694   1.83839   1.84682   1.85499   1.87406
 Alpha virt. eigenvalues --    1.87989   1.88934   1.90708   1.92854   1.93778
 Alpha virt. eigenvalues --    1.94237   1.94940   1.96122   1.97625   1.98709
 Alpha virt. eigenvalues --    2.01238   2.01951   2.04111   2.04783   2.06144
 Alpha virt. eigenvalues --    2.07563   2.08087   2.08997   2.09913   2.11285
 Alpha virt. eigenvalues --    2.13048   2.14710   2.16040   2.16421   2.17452
 Alpha virt. eigenvalues --    2.19432   2.21106   2.22163   2.23583   2.24865
 Alpha virt. eigenvalues --    2.27368   2.29008   2.30297   2.30679   2.31188
 Alpha virt. eigenvalues --    2.32497   2.33896   2.36276   2.39111   2.41507
 Alpha virt. eigenvalues --    2.43029   2.44616   2.46966   2.48007   2.51797
 Alpha virt. eigenvalues --    2.53604   2.56493   2.59577   2.60514   2.61612
 Alpha virt. eigenvalues --    2.63325   2.66395   2.66938   2.69698   2.72278
 Alpha virt. eigenvalues --    2.74663   2.75287   2.79713   2.81641   2.83471
 Alpha virt. eigenvalues --    2.87276   2.90067   2.92042   2.93211   2.94081
 Alpha virt. eigenvalues --    2.97567   3.04450   3.07969   3.13033   3.15886
 Alpha virt. eigenvalues --    3.21394   3.50435   3.59331   3.67082   3.83616
 Alpha virt. eigenvalues --    4.01788   4.73496
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.368323  -5.781088   5.798017  -4.832432   4.251321  -7.517850
     2  C   -5.781088  13.260266  -6.130925   3.691787  -4.898752   5.960514
     3  C    5.798017  -6.130925  22.532937  -9.650941   4.901734  -7.894376
     4  C   -4.832432   3.691787  -9.650941  25.506064 -11.808731   5.619227
     5  C    4.251321  -4.898752   4.901734 -11.808731  26.570068 -11.830466
     6  C   -7.517850   5.960514  -7.894376   5.619227 -11.830466  25.303074
     7  C    0.060134  -0.049433   0.073750  -5.180709   0.651578  -3.056431
     8  C    0.080945  -0.108227  -0.214930  -0.421998  -0.580618  -0.420822
     9  C   -0.205932   0.249905  -2.985616   2.201915  -3.523901   0.867041
    10  H   -1.589745   0.788553  -0.218872   0.008258  -0.115992   0.722084
    11  H    0.857811  -1.553615   0.695865  -0.170464   0.001375  -0.229429
    12  H   -0.393650   0.642171  -2.182858   1.288492  -0.197306   0.254579
    13  H    0.742643  -0.337538   0.254804  -0.487867   1.443536  -2.699012
    14  H    0.002933  -0.002456   0.041281   0.322772   0.466337   0.234672
    15  C    0.024591  -0.022931  -0.000670   0.052402  -0.439540  -0.413517
    16  H    0.002799   0.000199   0.045818   0.062196   0.032654  -0.101445
    17  H    0.018510  -0.019087   0.029803  -0.091154   0.262725   0.093695
    18  H   -0.021749   0.013294  -0.037106   0.091932   0.093109   0.110636
    19  H    0.033303  -0.103663   0.091898   0.157596   0.284560  -0.079141
    20  H    0.004738   0.005747  -0.005605   0.097761  -0.290551   0.091609
    21  H   -0.006771   0.002540  -0.005809  -0.039570   0.355588  -0.057932
    22  H    0.040728  -0.011259  -0.001841  -0.053437  -0.138799  -0.034400
               7          8          9         10         11         12
     1  C    0.060134   0.080945  -0.205932  -1.589745   0.857811  -0.393650
     2  C   -0.049433  -0.108227   0.249905   0.788553  -1.553615   0.642171
     3  C    0.073750  -0.214930  -2.985616  -0.218872   0.695865  -2.182858
     4  C   -5.180709  -0.421998   2.201915   0.008258  -0.170464   1.288492
     5  C    0.651578  -0.580618  -3.523901  -0.115992   0.001375  -0.197306
     6  C   -3.056431  -0.420822   0.867041   0.722084  -0.229429   0.254579
     7  C   14.357002   0.221133  -0.589320   0.049764  -0.022587  -0.008520
     8  C    0.221133   6.427942   0.271193  -0.000960   0.004120   0.008288
     9  C   -0.589320   0.271193   9.893245  -0.027132   0.043502   0.065003
    10  H    0.049764  -0.000960  -0.027132   2.343933  -0.129044  -0.025641
    11  H   -0.022587   0.004120   0.043502  -0.129044   2.324585  -0.146405
    12  H   -0.008520   0.008288   0.065003  -0.025641  -0.146405   2.421489
    13  H    0.014693   0.099072  -0.048665  -0.155625  -0.027893   0.019586
    14  H   -1.153156   0.088057  -0.145831  -0.001741   0.000581  -0.001635
    15  C    0.774832  -0.091271  -0.031585   0.010122  -0.000221   0.002417
    16  H    0.331453  -0.517757   0.148974   0.000234   0.000257   0.000986
    17  H   -0.398433   0.034854  -0.079987   0.000576  -0.000127   0.003692
    18  H   -0.179239  -0.011738   0.040589  -0.000208  -0.000213   0.007945
    19  H    0.161074   0.094121  -0.670650   0.000419  -0.001205  -0.016389
    20  H    0.041098  -0.099056  -0.044575  -0.000118   0.000397   0.000175
    21  H   -0.284392   0.122996   0.020407   0.000800  -0.000021   0.000230
    22  H    0.435981  -0.125949   0.020631   0.000288  -0.000153  -0.000446
              13         14         15         16         17         18
     1  C    0.742643   0.002933   0.024591   0.002799   0.018510  -0.021749
     2  C   -0.337538  -0.002456  -0.022931   0.000199  -0.019087   0.013294
     3  C    0.254804   0.041281  -0.000670   0.045818   0.029803  -0.037106
     4  C   -0.487867   0.322772   0.052402   0.062196  -0.091154   0.091932
     5  C    1.443536   0.466337  -0.439540   0.032654   0.262725   0.093109
     6  C   -2.699012   0.234672  -0.413517  -0.101445   0.093695   0.110636
     7  C    0.014693  -1.153156   0.774832   0.331453  -0.398433  -0.179239
     8  C    0.099072   0.088057  -0.091271  -0.517757   0.034854  -0.011738
     9  C   -0.048665  -0.145831  -0.031585   0.148974  -0.079987   0.040589
    10  H   -0.155625  -0.001741   0.010122   0.000234   0.000576  -0.000208
    11  H   -0.027893   0.000581  -0.000221   0.000257  -0.000127  -0.000213
    12  H    0.019586  -0.001635   0.002417   0.000986   0.003692   0.007945
    13  H    2.968447   0.026649   0.093692  -0.001535   0.003747  -0.001118
    14  H    0.026649   1.786433  -0.248340  -0.196952   0.096792   0.056731
    15  C    0.093692  -0.248340   4.813288   0.064120  -0.110684   0.009713
    16  H   -0.001535  -0.196952   0.064120   1.972779  -0.342623  -0.197956
    17  H    0.003747   0.096792  -0.110684  -0.342623   1.973481   0.128206
    18  H   -0.001118   0.056731   0.009713  -0.197956   0.128206   1.341408
    19  H   -0.004604   0.000222  -0.005645   0.031161  -0.190549  -0.338345
    20  H   -0.017664   0.058140   0.390623  -0.005472  -0.015743  -0.000552
    21  H    0.013330  -0.014204   0.104283  -0.004943  -0.004975   0.001788
    22  H   -0.056268  -0.091740   0.166830   0.009753   0.000440  -0.000463
              19         20         21         22
     1  C    0.033303   0.004738  -0.006771   0.040728
     2  C   -0.103663   0.005747   0.002540  -0.011259
     3  C    0.091898  -0.005605  -0.005809  -0.001841
     4  C    0.157596   0.097761  -0.039570  -0.053437
     5  C    0.284560  -0.290551   0.355588  -0.138799
     6  C   -0.079141   0.091609  -0.057932  -0.034400
     7  C    0.161074   0.041098  -0.284392   0.435981
     8  C    0.094121  -0.099056   0.122996  -0.125949
     9  C   -0.670650  -0.044575   0.020407   0.020631
    10  H    0.000419  -0.000118   0.000800   0.000288
    11  H   -0.001205   0.000397  -0.000021  -0.000153
    12  H   -0.016389   0.000175   0.000230  -0.000446
    13  H   -0.004604  -0.017664   0.013330  -0.056268
    14  H    0.000222   0.058140  -0.014204  -0.091740
    15  C   -0.005645   0.390623   0.104283   0.166830
    16  H    0.031161  -0.005472  -0.004943   0.009753
    17  H   -0.190549  -0.015743  -0.004975   0.000440
    18  H   -0.338345  -0.000552   0.001788  -0.000463
    19  H    1.766279   0.000511   0.000669  -0.000763
    20  H    0.000511   1.578215  -0.342371  -0.295544
    21  H    0.000669  -0.342371   1.724347  -0.400739
    22  H   -0.000763  -0.295544  -0.400739   1.770858
 Mulliken charges:
               1
     1  C    0.062422
     2  C    0.403998
     3  C    0.863641
     4  C   -0.363098
     5  C    0.510071
     6  C    1.077690
     7  C   -0.250274
     8  C    1.140605
     9  C    0.530788
    10  H   -0.659952
    11  H   -0.647116
    12  H   -0.742206
    13  H   -0.842408
    14  H   -0.325545
    15  C    0.857489
    16  H   -0.334701
    17  H   -0.393159
    18  H   -0.106664
    19  H   -0.210860
    20  H   -0.151765
    21  H   -0.185250
    22  H   -0.233707
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.597530
     2  C   -0.243117
     3  C    0.121436
     4  C   -0.363098
     5  C    0.510071
     6  C    0.235283
     7  C   -0.575819
     8  C    0.412745
     9  C    0.213265
    15  C    0.286766
 Electronic spatial extent (au):  <R**2>=           1422.1272
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6649    Y=              0.2301    Z=             -0.1228  Tot=              0.7143
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.6986   YY=            -57.1445   ZZ=            -63.4450
   XY=              0.1251   XZ=             -1.1040   YZ=              0.6007
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7308   YY=              2.2849   ZZ=             -4.0157
   XY=              0.1251   XZ=             -1.1040   YZ=              0.6007
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.3664  YYY=             -0.7838  ZZZ=             -0.3781  XYY=             -3.8740
  XXY=              0.3185  XXZ=              0.9839  XZZ=              7.9597  YZZ=              2.3439
  YYZ=             -0.6478  XYZ=             -0.6775
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1161.2424 YYYY=           -636.7770 ZZZZ=           -116.9242 XXXY=              4.6699
 XXXZ=            -15.7972 YYYX=              2.7460 YYYZ=              7.8066 ZZZX=              0.6052
 ZZZY=             -1.7232 XXYY=           -304.1074 XXZZ=           -236.6300 YYZZ=           -133.1844
 XXYZ=              1.2509 YYXZ=             -3.3619 ZZXY=             -0.1321
 N-N= 5.041704115605D+02 E-N=-1.907512625059D+03  KE= 3.858304849892D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 00:21:05 2021, MaxMem= 10737418240 cpu:               6.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.7128    1.7123        0.9404    0.9404
 2     -1.7128   -1.7123       -0.7325   -0.7326       -9.0465   -9.0505
 3     -0.9404   -0.9404       32.6304   32.6259        0.7327    0.7326
 4      0.7325    0.7326       -0.0000    0.0000       -0.9397   -0.9404
 5    -23.5839  -23.5754        0.9397    0.9404        1.7116    1.7123
 6     -0.7327   -0.7326       -1.7116   -1.7123       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.1368   -5.1368        2.8212    2.8212
 2      2.1977    2.1977       -0.0000    0.0000        2.8212    2.8212
 3      2.1977    2.1977       -5.1368   -5.1368       -0.0000    0.0000
 4     -5.1368   -5.1368       -2.1977   -2.1977      -27.1515  -27.1515
 5     -2.8212   -2.8212       97.8777   97.8777        2.1977    2.1977
 6    -70.7262  -70.7262        2.8212    2.8212        5.1368    5.1368
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0898    0.0000       -6.5829   -6.8491       -3.7000   -3.7617
 2      6.6456    6.8491        2.8373    2.9302       35.9970   36.2020
 3      3.7901    3.7617     -130.6800 -130.5036       -2.8059   -2.9302
 4     -2.8068   -2.9302        0.0521    0.0000        3.8111    3.7617
 5     94.4385   94.3016       -3.7881   -3.7617       -6.8811   -6.8491
 6      2.8795    2.9302        6.8571    6.8491        0.0132    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0670    0.0000        3.1239    3.0995      -11.2579  -11.4438
 2     -2.8396   -3.0995       44.6572   44.5916       12.4172   12.2717
 3     11.0798   11.4438        9.7676    9.8573      -44.6600  -44.5916
 4    -44.3885  -44.5916        0.0304    0.0000       11.2525   11.4438
 5    -22.0801  -22.1290      -11.7090  -11.4438        2.8111    3.0995
 6     44.5101   44.5916       -3.0796   -3.0995       -0.0979    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.2548    5.1731       27.4932   27.4083       16.0100   16.1241
 2    -63.3015  -63.6026       28.6480   28.6187       15.9931   16.1241
 3    -63.2385  -63.6026       27.4355   27.4083       27.5204   27.7383
 4     -1.0988   -1.2104       68.6654   68.7757        0.5580    0.5946
 5     11.0027   11.6142       19.5763   19.5888      -69.8694  -68.7757
 6    -19.9264  -20.1834      -11.8398  -11.6142        0.6723    1.2104
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.5695                 2.8928                 1.3831
  Dep-P Fr= 1--      0.7272                 0.7393                 0.5536
  Dep-U Fr= 1--      0.8421                 0.8501                 0.7126
 Alpha2 Fr= 1--      0.0006                 0.0005                 0.0052
 Beta2  Fr= 1--      0.2203                 0.4099                 0.1643
 AlphaG Fr= 1--     -0.0006                 0.0014                -0.0021
 Gamma2 Fr= 1--      0.0404                 0.4900                 1.1830
 Delta2 Fr= 1--     -0.0004                 0.3570                 0.2452
 Raman1 Fr= 1--       6.278                 11.571                  5.532
 ROA1   Fr= 1--       3.870                 58.460                121.415
 CID1   Fr= 1--       0.616                  5.052                 21.946
 Raman2 Fr= 1--       2.643                  4.919                  1.971
 ROA2   Fr= 1--       0.973                  8.903                 26.431
 CID2   Fr= 1--       0.368                  1.810                 13.408
 Raman3 Fr= 1--       5.287                  9.837                  3.943
 ROA3   Fr= 1--       3.870                 58.460                121.415
 CID3   Fr= 1--       0.732                  5.943                 30.796
 RC180  Fr= 1--       0.684                  0.700                  0.425
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.1139                 0.4925                 1.0499
  Dep-P Fr= 1--      0.4533                 0.7027                 0.1104
  Dep-U Fr= 1--      0.6239                 0.8254                 0.1989
 Alpha2 Fr= 1--      0.0007                 0.0004                 0.0179
 Beta2  Fr= 1--      0.0118                 0.0677                 0.0348
 AlphaG Fr= 1--      0.0023                -0.0029                 0.0096
 Gamma2 Fr= 1--      0.0201                -0.5219                -0.4434
 Delta2 Fr= 1--      0.0344                -0.0580                -0.1178
 Raman1 Fr= 1--       0.456                  1.970                  4.200
 ROA1   Fr= 1--       3.031                -51.957                -46.333
 CID1   Fr= 1--       6.654                -26.377                -11.032
 Raman2 Fr= 1--       0.142                  0.813                  0.418
 ROA2   Fr= 1--       0.208                -12.061                 -9.699
 CID2   Fr= 1--       1.464                -14.837                -23.224
 Raman3 Fr= 1--       0.284                  1.626                  0.835
 ROA3   Fr= 1--       3.031                -51.957                -46.333
 CID3   Fr= 1--      10.665                -31.958                -55.474
 RC180  Fr= 1--       0.248                  0.651                 -0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.3056                 1.5786                 7.4871
  Dep-P Fr= 1--      0.7322                 0.1238                 0.1868
  Dep-U Fr= 1--      0.8454                 0.2203                 0.3148
 Alpha2 Fr= 1--      0.0001                 0.0261                 0.1053
 Beta2  Fr= 1--      0.0431                 0.0580                 0.3928
 AlphaG Fr= 1--      0.0007                 0.0205                -0.0457
 Gamma2 Fr= 1--      0.6086                 0.0451                -1.7856
 Delta2 Fr= 1--      0.0879                 0.0553                -0.4126
 Raman1 Fr= 1--       1.222                  6.315                 29.948
 ROA1   Fr= 1--      61.238                  6.095               -184.622
 CID1   Fr= 1--      50.096                  0.965                 -6.165
 Raman2 Fr= 1--       0.517                  0.696                  4.713
 ROA2   Fr= 1--      13.903                  0.639                -39.555
 CID2   Fr= 1--      26.907                  0.918                 -8.392
 Raman3 Fr= 1--       1.033                  1.391                  9.427
 ROA3   Fr= 1--      61.238                  6.095               -184.622
 CID3   Fr= 1--      59.257                  4.382                -19.585
 RC180  Fr= 1--       0.691                 -0.559                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.7318                 1.2336                 2.2846
  Dep-P Fr= 1--      0.7310                 0.5057                 0.2830
  Dep-U Fr= 1--      0.8446                 0.6717                 0.4412
 Alpha2 Fr= 1--      0.0015                 0.0059                 0.0246
 Beta2  Fr= 1--      0.6661                 0.1381                 0.1680
 AlphaG Fr= 1--      0.0028                 0.0195                -0.0024
 Gamma2 Fr= 1--      0.7106                 0.4073                 0.2805
 Delta2 Fr= 1--      0.2393                 0.1422                -0.1485
 Raman1 Fr= 1--      18.927                  4.934                  9.138
 ROA1   Fr= 1--      75.870                 43.650                 22.173
 CID1   Fr= 1--       4.009                  8.846                  2.426
 Raman2 Fr= 1--       7.993                  1.657                  2.016
 ROA2   Fr= 1--      15.139                  8.637                  7.920
 CID2   Fr= 1--       1.894                  5.211                  3.929
 Raman3 Fr= 1--      15.985                  3.315                  4.031
 ROA3   Fr= 1--      75.870                 43.650                 22.173
 CID3   Fr= 1--       4.746                 13.169                  5.500
 RC180  Fr= 1--       0.689                  0.343                 -0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      2.9003                17.9067                 8.7498
  Dep-P Fr= 1--      0.1103                 0.0633                 0.2035
  Dep-U Fr= 1--      0.1986                 0.1191                 0.3382
 Alpha2 Fr= 1--      0.0495                 0.3426                 0.1177
 Beta2  Fr= 1--      0.0960                 0.3554                 0.4932
 AlphaG Fr= 1--      0.0250                -0.0186                 0.0064
 Gamma2 Fr= 1--     -0.6770                -0.6384                -0.1333
 Delta2 Fr= 1--     -0.3275                -0.1086                 0.0598
 Raman1 Fr= 1--      11.601                 71.627                 34.999
 ROA1   Fr= 1--     -75.476                -64.756                -10.887
 CID1   Fr= 1--      -6.506                 -0.904                 -0.311
 Raman2 Fr= 1--       1.152                  4.264                  5.919
 ROA2   Fr= 1--     -13.629                -14.452                 -3.678
 CID2   Fr= 1--     -11.827                 -3.389                 -0.621
 Raman3 Fr= 1--       2.305                  8.529                 11.837
 ROA3   Fr= 1--     -75.476                -64.756                -10.887
 CID3   Fr= 1--     -32.751                 -7.593                 -0.920
 RC180  Fr= 1--      -0.603                 -0.762                 -0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.8097                 8.7265                 1.1790
  Dep-P Fr= 1--      0.7315                 0.0821                 0.6789
  Dep-U Fr= 1--      0.8450                 0.1518                 0.8088
 Alpha2 Fr= 1--      0.0006                 0.1596                 0.0015
 Beta2  Fr= 1--      0.2548                 0.2208                 0.1589
 AlphaG Fr= 1--      0.0004                 0.0549                 0.0068
 Gamma2 Fr= 1--      1.0749                 0.6696                -1.2038
 Delta2 Fr= 1--      1.2039                 0.4914                -0.8199
 Raman1 Fr= 1--       7.239                 34.906                  4.716
 ROA1   Fr= 1--     141.720                 80.006               -141.804
 CID1   Fr= 1--      19.578                  2.292                -30.069
 Raman2 Fr= 1--       3.058                  2.650                  1.907
 ROA2   Fr= 1--      16.167                 12.139                -22.332
 CID2   Fr= 1--       5.287                  4.581                -11.711
 Raman3 Fr= 1--       6.116                  5.299                  3.814
 ROA3   Fr= 1--     141.720                 80.006               -141.804
 CID3   Fr= 1--      23.171                 15.098                -37.179
 RC180  Fr= 1--       0.690                 -0.696                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.3622                 0.3650                 0.0353
  Dep-P Fr= 1--      0.7317                 0.5621                 0.5988
  Dep-U Fr= 1--      0.8451                 0.7197                 0.7491
 Alpha2 Fr= 1--      0.0004                 0.0013                 0.0001
 Beta2  Fr= 1--      0.1919                 0.0438                 0.0044
 AlphaG Fr= 1--     -0.0017                 0.0041                -0.0038
 Gamma2 Fr= 1--      0.4910                 0.1556                -0.0649
 Delta2 Fr= 1--      0.0603                 0.0415                 0.0398
 Raman1 Fr= 1--       5.449                  1.460                  0.141
 ROA1   Fr= 1--      49.063                 16.266                 -4.953
 CID1   Fr= 1--       9.004                 11.142                -35.088
 Raman2 Fr= 1--       2.302                  0.525                  0.053
 ROA2   Fr= 1--      11.301                  3.402                 -1.875
 CID2   Fr= 1--       4.909                  6.477                -35.467
 Raman3 Fr= 1--       4.605                  1.051                  0.106
 ROA3   Fr= 1--      49.063                 16.266                 -4.953
 CID3   Fr= 1--      10.655                 15.482                -46.841
 RC180  Fr= 1--       0.690                  0.439                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.1527                 3.2890                20.4978
  Dep-P Fr= 1--      0.6862                 0.2949                 0.1576
  Dep-U Fr= 1--      0.8139                 0.4555                 0.2724
 Alpha2 Fr= 1--      0.0002                 0.0342                 0.3108
 Beta2  Fr= 1--      0.0207                 0.2497                 0.9305
 AlphaG Fr= 1--     -0.0031                 0.0201                -0.0601
 Gamma2 Fr= 1--     -0.0336                -0.9893                 1.2005
 Delta2 Fr= 1--      0.2775                 0.1606                -0.4416
 Raman1 Fr= 1--       0.611                 13.156                 81.991
 ROA1   Fr= 1--       5.651                -89.837                101.120
 CID1   Fr= 1--       9.252                 -6.829                  1.233
 Raman2 Fr= 1--       0.249                  2.996                 11.166
 ROA2   Fr= 1--      -3.028                -25.028                 32.346
 CID2   Fr= 1--     -12.181                 -8.353                  2.897
 Raman3 Fr= 1--       0.497                  5.993                 22.331
 ROA3   Fr= 1--       5.651                -89.837                101.120
 CID3   Fr= 1--      11.368                -14.991                  4.528
 RC180  Fr= 1--       0.628                 -0.089                 -0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     31.4389                 0.7680                 1.4375
  Dep-P Fr= 1--      0.0386                 0.6621                 0.5791
  Dep-U Fr= 1--      0.0743                 0.7967                 0.7334
 Alpha2 Fr= 1--      0.6381                 0.0012                 0.0046
 Beta2  Fr= 1--      0.3892                 0.1020                 0.1757
 AlphaG Fr= 1--      0.0421                -0.0084                 0.0237
 Gamma2 Fr= 1--     -0.7717                 0.4261                 0.2390
 Delta2 Fr= 1--     -0.9087                 0.4066                 0.4131
 Raman1 Fr= 1--     125.755                  3.072                  5.750
 ROA1   Fr= 1--    -103.158                 53.915                 36.165
 CID1   Fr= 1--      -0.820                 17.551                  6.290
 Raman2 Fr= 1--       4.670                  1.224                  2.109
 ROA2   Fr= 1--     -11.251                  6.973                  2.432
 CID2   Fr= 1--      -2.409                  5.698                  1.153
 Raman3 Fr= 1--       9.340                  2.448                  4.217
 ROA3   Fr= 1--    -103.158                 53.915                 36.165
 CID3   Fr= 1--     -11.044                 22.029                  8.575
 RC180  Fr= 1--      -0.851                  0.593                  0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.4593                 5.0500                 2.8284
  Dep-P Fr= 1--      0.6172                 0.3042                 0.5538
  Dep-U Fr= 1--      0.7633                 0.4664                 0.7128
 Alpha2 Fr= 1--      0.0036                 0.0512                 0.0106
 Beta2  Fr= 1--      0.1856                 0.3926                 0.3360
 AlphaG Fr= 1--      0.0276                -0.0307                 0.0090
 Gamma2 Fr= 1--      0.4262                 0.5998                -0.4433
 Delta2 Fr= 1--      0.0430                 0.3643                -0.2807
 Raman1 Fr= 1--       5.837                 20.200                 11.314
 ROA1   Fr= 1--      42.295                 69.244                -51.540
 CID1   Fr= 1--       7.246                  3.428                 -4.556
 Raman2 Fr= 1--       2.228                  4.711                  4.032
 ROA2   Fr= 1--       9.886                 11.482                 -8.393
 CID2   Fr= 1--       4.438                  2.437                 -2.081
 Raman3 Fr= 1--       4.455                  9.422                  8.065
 ROA3   Fr= 1--      42.295                 69.244                -51.540
 CID3   Fr= 1--       9.493                  7.349                 -6.391
 RC180  Fr= 1--       0.527                 -0.067                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.3086                10.8550                26.2826
  Dep-P Fr= 1--      0.5273                 0.2113                 0.0738
  Dep-U Fr= 1--      0.6905                 0.3488                 0.1375
 Alpha2 Fr= 1--      0.0057                 0.1430                 0.4903
 Beta2  Fr= 1--      0.1506                 0.6311                 0.6025
 AlphaG Fr= 1--      0.0033                -0.0628                 0.0020
 Gamma2 Fr= 1--     -0.3543                 2.3069                -1.4218
 Delta2 Fr= 1--     -0.0189                 0.7804                -0.4485
 Raman1 Fr= 1--       5.234                 43.420                105.130
 ROA1   Fr= 1--     -34.622                246.437               -150.847
 CID1   Fr= 1--      -6.614                  5.676                 -1.435
 Raman2 Fr= 1--       1.807                  7.573                  7.230
 ROA2   Fr= 1--      -8.353                 49.122                -30.536
 CID2   Fr= 1--      -4.622                  6.486                 -4.224
 Raman3 Fr= 1--       3.614                 15.147                 14.459
 ROA3   Fr= 1--     -34.622                246.437               -150.847
 CID3   Fr= 1--      -9.579                 16.270                -10.433
 RC180  Fr= 1--       0.381                 -0.302                 -0.725
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      3.4133                 4.4250                 2.7723
  Dep-P Fr= 1--      0.2531                 0.4272                 0.2573
  Dep-U Fr= 1--      0.4039                 0.5986                 0.4092
 Alpha2 Fr= 1--      0.0401                 0.0297                 0.0322
 Beta2  Fr= 1--      0.2298                 0.4415                 0.1891
 AlphaG Fr= 1--     -0.0519                 0.0208                 0.0248
 Gamma2 Fr= 1--      0.9465                -0.0292                -0.6361
 Delta2 Fr= 1--      0.5503                -0.5011                -0.4626
 Raman1 Fr= 1--      13.653                 17.700                 11.089
 ROA1   Fr= 1--     108.477                -18.842                -75.864
 CID1   Fr= 1--       7.945                 -1.065                 -6.841
 Raman2 Fr= 1--       2.757                  5.298                  2.269
 ROA2   Fr= 1--      18.315                  3.308                -11.565
 CID2   Fr= 1--       6.642                  0.624                 -5.097
 Raman3 Fr= 1--       5.515                 10.596                  4.538
 ROA3   Fr= 1--     108.477                -18.842                -75.864
 CID3   Fr= 1--      19.670                 -1.778                -16.717
 RC180  Fr= 1--      -0.192                  0.197                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      2.0680                11.4855                 7.8000
  Dep-P Fr= 1--      0.7299                 0.0768                 0.5006
  Dep-U Fr= 1--      0.8439                 0.1427                 0.6672
 Alpha2 Fr= 1--      0.0007                 0.2127                 0.0384
 Beta2  Fr= 1--      0.2909                 0.2731                 0.8674
 AlphaG Fr= 1--      0.0115                -0.0114                 0.0523
 Gamma2 Fr= 1--      0.4839                -0.4260                 1.2351
 Delta2 Fr= 1--      0.0098                -0.3500                 0.5626
 Raman1 Fr= 1--       8.272                 45.942                 31.200
 ROA1   Fr= 1--      46.769                -52.100                136.575
 CID1   Fr= 1--       5.654                 -1.134                  4.377
 Raman2 Fr= 1--       3.490                  3.278                 10.409
 ROA2   Fr= 1--      11.535                 -7.424                 25.142
 CID2   Fr= 1--       3.305                 -2.265                  2.415
 Raman3 Fr= 1--       6.981                  6.556                 20.818
 ROA3   Fr= 1--      46.769                -52.100                136.575
 CID3   Fr= 1--       6.700                 -7.947                  6.560
 RC180  Fr= 1--       0.688                 -0.715                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.4481                11.3367                 3.9615
  Dep-P Fr= 1--      0.7410                 0.5792                 0.7347
  Dep-U Fr= 1--      0.8512                 0.7336                 0.8471
 Alpha2 Fr= 1--      0.0001                 0.0363                 0.0010
 Beta2  Fr= 1--      0.0636                 1.3860                 0.5593
 AlphaG Fr= 1--     -0.0004                -0.0071                -0.0043
 Gamma2 Fr= 1--      0.1394                -1.8531                -3.2387
 Delta2 Fr= 1--     -0.0500                -1.0920                 1.2825
 Raman1 Fr= 1--       1.792                 45.347                 15.846
 ROA1   Fr= 1--      11.782               -212.841               -269.879
 CID1   Fr= 1--       6.573                 -4.694                -17.031
 Raman2 Fr= 1--       0.763                 16.633                  6.711
 ROA2   Fr= 1--       3.746                -35.738                -87.990
 CID2   Fr= 1--       4.910                 -2.149                -13.110
 Raman3 Fr= 1--       1.526                 33.265                 13.423
 ROA3   Fr= 1--      11.782               -212.841               -269.879
 CID3   Fr= 1--       7.722                 -6.398                -20.106
 RC180  Fr= 1--       0.702                  0.467                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      6.0420                 4.9413                 4.8891
  Dep-P Fr= 1--      0.2382                 0.7199                 0.7367
  Dep-U Fr= 1--      0.3847                 0.8372                 0.8484
 Alpha2 Fr= 1--      0.0740                 0.0026                 0.0011
 Beta2  Fr= 1--      0.3874                 0.6894                 0.6913
 AlphaG Fr= 1--     -0.0704                 0.0032                -0.0005
 Gamma2 Fr= 1--     -0.0509                 4.6428                -1.5501
 Delta2 Fr= 1--      0.7162                -0.0655                -0.6370
 Raman1 Fr= 1--      24.168                 19.765                 19.556
 ROA1   Fr= 1--      18.036                443.615               -169.191
 CID1   Fr= 1--       0.746                 22.444                 -8.651
 Raman2 Fr= 1--       4.649                  8.273                  8.296
 ROA2   Fr= 1--      -6.950                111.952                -32.106
 CID2   Fr= 1--      -1.495                 13.532                 -3.870
 Raman3 Fr= 1--       9.298                 16.547                 16.592
 ROA3   Fr= 1--      18.036                443.615               -169.191
 CID3   Fr= 1--       1.940                 26.810                -10.197
 RC180  Fr= 1--      -0.231                  0.674                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      1.3167                14.7576                23.4186
  Dep-P Fr= 1--      0.5191                 0.6569                 0.7426
  Dep-U Fr= 1--      0.6834                 0.7929                 0.8523
 Alpha2 Fr= 1--      0.0059                 0.0246                 0.0029
 Beta2  Fr= 1--      0.1500                 1.9502                 3.3266
 AlphaG Fr= 1--     -0.0099                -0.0267                 0.0101
 Gamma2 Fr= 1--      0.1629                 0.2906                 0.0727
 Delta2 Fr= 1--      0.0411                -0.6560                 0.0349
 Raman1 Fr= 1--       5.267                 59.030                 93.674
 ROA1   Fr= 1--      16.950                  6.907                  8.102
 CID1   Fr= 1--       3.218                  0.117                  0.086
 Raman2 Fr= 1--       1.800                 23.402                 39.919
 ROA2   Fr= 1--       3.580                 12.222                  1.466
 CID2   Fr= 1--       1.989                  0.522                  0.037
 Raman3 Fr= 1--       3.600                 46.805                 79.837
 ROA3   Fr= 1--      16.950                  6.907                  8.102
 CID3   Fr= 1--       4.709                  0.148                  0.101
 RC180  Fr= 1--       0.367                  0.586                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    181.9693               196.2925               114.4094
  Dep-P Fr= 1--      0.1801                 0.1608                 0.0345
  Dep-U Fr= 1--      0.3052                 0.2770                 0.0666
 Alpha2 Fr= 1--      2.6041                 2.9523                 2.3448
 Beta2  Fr= 1--      9.2549                 9.0626                 1.2702
 AlphaG Fr= 1--      0.0672                -0.0510                -0.0041
 Gamma2 Fr= 1--      5.5800                -6.3484                 4.2019
 Delta2 Fr= 1--      1.2915                 5.8295                 3.8164
 Raman1 Fr= 1--     727.877                785.170                457.638
 ROA1   Fr= 1--     577.008               -422.899                525.506
 CID1   Fr= 1--       0.793                 -0.539                  1.148
 Raman2 Fr= 1--     111.058                108.752                 15.242
 ROA2   Fr= 1--     123.588               -198.996                 70.315
 CID2   Fr= 1--       1.113                 -1.830                  4.613
 Raman3 Fr= 1--     222.117                217.503                 30.485
 ROA3   Fr= 1--     577.008               -422.899                525.506
 CID3   Fr= 1--       2.598                 -1.944                 17.238
 RC180  Fr= 1--      -0.390                 -0.446                 -0.867
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    137.8007               147.8900                50.0143
  Dep-P Fr= 1--      0.0823                 0.2178                 0.6081
  Dep-U Fr= 1--      0.1521                 0.3577                 0.7563
 Alpha2 Fr= 1--      2.5188                 1.9151                 0.1308
 Beta2  Fr= 1--      3.4935                 8.8156                 6.3043
 AlphaG Fr= 1--      0.1820                -1.8506                 0.0652
 Gamma2 Fr= 1--     -5.9516               -12.9509               -46.6781
 Delta2 Fr= 1--     -8.5856                -7.9523               -32.6361
 Raman1 Fr= 1--     551.203                591.560                200.057
 ROA1   Fr= 1--    -846.093              -1497.757              -5525.457
 CID1   Fr= 1--      -1.535                 -2.532                -27.619
 Raman2 Fr= 1--      41.922                105.787                 75.651
 ROA2   Fr= 1--     -74.154               -247.203               -859.186
 CID2   Fr= 1--      -1.769                 -2.337                -11.357
 Raman3 Fr= 1--      83.844                211.573                151.302
 ROA3   Fr= 1--    -846.093              -1497.757              -5525.457
 CID3   Fr= 1--     -10.091                 -7.079                -36.519
 RC180  Fr= 1--      -0.696                 -0.285                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    149.8694                86.4764                31.5595
  Dep-P Fr= 1--      0.5855                 0.4483                 0.6141
  Dep-U Fr= 1--      0.7386                 0.6191                 0.7609
 Alpha2 Fr= 1--      0.4606                 0.5338                 0.0787
 Beta2  Fr= 1--     18.4488                 8.9224                 4.0023
 AlphaG Fr= 1--      0.6324                -0.7005                -0.0340
 Gamma2 Fr= 1--     11.8001                46.5563                -0.3826
 Delta2 Fr= 1--      0.8485                40.2471                 0.6148
 Raman1 Fr= 1--     599.478                345.906                126.238
 ROA1   Fr= 1--    1159.967               5757.317                -17.059
 CID1   Fr= 1--       1.935                 16.644                 -0.135
 Raman2 Fr= 1--     221.385                107.068                 48.028
 ROA2   Fr= 1--     276.415                795.375                -14.102
 CID2   Fr= 1--       1.249                  7.429                 -0.294
 Raman3 Fr= 1--     442.771                214.137                 96.056
 ROA3   Fr= 1--    1159.967               5757.317                -17.059
 CID3   Fr= 1--       2.620                 26.886                 -0.178
 RC180  Fr= 1--       0.477                  0.238                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    134.5654                58.3907               281.0474
  Dep-P Fr= 1--      0.5617                 0.7463                 0.1097
  Dep-U Fr= 1--      0.7194                 0.8547                 0.1977
 Alpha2 Fr= 1--      0.4806                 0.0036                 4.8049
 Beta2  Fr= 1--     16.1338                 8.3181                 9.2611
 AlphaG Fr= 1--      0.0238                -0.0156                 0.2885
 Gamma2 Fr= 1--      0.4518                 0.2278                 2.3336
 Delta2 Fr= 1--      0.1515                -2.7190                 2.4541
 Raman1 Fr= 1--     538.262                233.563               1124.190
 ROA1   Fr= 1--      48.219                -65.139                302.559
 CID1   Fr= 1--       0.090                 -0.279                  0.269
 Raman2 Fr= 1--     193.606                 99.818                111.133
 ROA2   Fr= 1--       9.631                 27.219                 36.374
 CID2   Fr= 1--       0.050                  0.273                  0.327
 Raman3 Fr= 1--     387.211                199.635                222.267
 ROA3   Fr= 1--      48.219                -65.139                302.559
 CID3   Fr= 1--       0.125                 -0.326                  1.361
 RC180  Fr= 1--       0.439                  0.709                 -0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
   XX XXX XXXXX                                                     XX  X  XX                        XX           X                  
   XX  XX XXXXX                                                     XX                               XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XX XX                                                     X                                XX                              
   XX  XX XX XX                                                                                      XX                              
   XX  XX XX XX                                                                                      X                               
    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146981D+03  0.188083D+01 -0.342454D+01
      2   0.188083D+01  0.128880D+03  0.146512D+01
      3  -0.342454D+01  0.146512D+01  0.817293D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.403310D+00  0.105105D+01  0.245696D+01
      2   0.103927D+02 -0.573254D+01  0.110690D+02
      3   0.642540D+00  0.335226D+02  0.533195D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.771024D+02 -0.150409D+02  0.137501D+02
      2   0.411377D+02  0.146308D+01 -0.139882D+02
      3   0.359647D+02  0.135778D+02  0.238054D+00
      4  -0.279502D+02 -0.347608D+02 -0.106535D+02
      5   0.151354D+02 -0.138192D+02  0.288418D+02
      6  -0.719048D+01 -0.988725D+00 -0.541858D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.352633D+00 -0.129461D+01 -0.773887D+00 -0.583320D+01 -0.302493D+00
      2  -0.129461D+01 -0.306384D+01 -0.716185D+00 -0.302493D+00 -0.244696D+01
      3  -0.773887D+00 -0.716185D+00 -0.168843D+01  0.603557D+00  0.524516D+00
                 6             7             8             9            10 
      1   0.603557D+00 -0.131966D+01 -0.869998D-01 -0.366897D+01 -0.578716D+01
      2   0.524516D+00 -0.869998D-01  0.549012D+00 -0.398361D+01  0.100310D+01
      3  -0.293865D+01 -0.366897D+01 -0.398361D+01 -0.142256D-01 -0.550078D+00
                11            12            13            14            15 
      1   0.100310D+01 -0.550078D+00  0.183660D+01  0.267464D+01  0.330987D+00
      2  -0.284661D+01 -0.986369D-02  0.267464D+01  0.226147D+01 -0.447367D+00
      3  -0.986369D-02 -0.304889D+01  0.330987D+00 -0.447367D+00  0.940739D+00
                16            17            18            19            20 
      1  -0.715664D+00  0.626841D+00 -0.552729D+01  0.112667D+01 -0.313148D+01
      2   0.626841D+00  0.266178D+00  0.773222D+00 -0.313148D+01 -0.389593D+01
      3  -0.552729D+01  0.773222D+00  0.141218D+01 -0.274455D+00  0.526655D+00
                21            22            23            24            25 
      1  -0.274455D+00  0.556878D+01 -0.677131D+00 -0.131991D+00  0.240093D+00
      2   0.526655D+00 -0.677131D+00  0.959303D+00 -0.413624D+00  0.940125D+00
      3  -0.413493D+00 -0.131991D+00 -0.413624D+00  0.256319D+01 -0.243065D+01
                26            27            28            29            30 
      1   0.940125D+00 -0.243065D+01  0.724906D+00  0.264138D+01 -0.286587D+00
      2  -0.480286D+00  0.363252D+01  0.264138D+01  0.726952D+01 -0.830761D-01
      3   0.363252D+01  0.144526D+01 -0.286587D+00 -0.830761D-01  0.175415D+01
                31            32            33            34            35 
      1   0.119034D+02  0.438704D+01 -0.925442D+00  0.161337D+01 -0.239479D+00
      2   0.438704D+01  0.626358D+01 -0.531671D+00 -0.239479D+00 -0.381205D+00
      3  -0.925442D+00 -0.531671D+00  0.140103D+01  0.158890D+01  0.306074D+01
                36            37            38            39            40 
      1   0.158890D+01  0.152684D+02 -0.173999D+01 -0.189861D+01 -0.601566D+01
      2   0.306074D+01 -0.173999D+01  0.383645D+01  0.831512D-01 -0.333328D+01
      3  -0.384094D-02 -0.189861D+01  0.831512D-01  0.217722D+01 -0.113053D+00
                41            42            43            44            45 
      1  -0.333328D+01 -0.113053D+00 -0.137354D+01 -0.500600D+00  0.324288D+01
      2  -0.250368D+00  0.569243D+00 -0.500600D+00  0.422540D+00 -0.890662D+00
      3   0.569243D+00  0.306092D+00  0.324288D+01 -0.890662D+00 -0.128199D+01
                46            47            48            49            50 
      1  -0.167178D+01  0.353664D+01  0.367775D+00 -0.592680D+01  0.730800D+00
      2   0.353664D+01  0.256653D+01 -0.373067D+00  0.730800D+00 -0.237789D+01
      3   0.367775D+00 -0.373067D+00  0.111507D+01  0.211876D+00  0.373326D+00
                51            52            53            54            55 
      1   0.211876D+00  0.464911D-01 -0.491722D+00  0.410497D+00 -0.397879D+01
      2   0.373326D+00 -0.491722D+00  0.534071D-01 -0.412511D+01  0.246463D+01
      3  -0.230726D+01  0.410497D+00 -0.412511D+01 -0.124781D+01  0.103509D+01
                56            57            58            59            60 
      1   0.246463D+01  0.103509D+01  0.303565D+01 -0.345771D+01  0.310168D+00
      2  -0.239563D+01  0.303018D+00 -0.345771D+01 -0.212623D+01 -0.164688D+01
      3   0.303018D+00 -0.210580D+01  0.310168D+00 -0.164688D+01  0.715350D+00
                61            62            63            64            65 
      1   0.307352D+01  0.265274D+00 -0.333633D+01 -0.418328D+01 -0.377878D+01
      2   0.265274D+00 -0.236441D+01  0.329848D+00 -0.377878D+01  0.117001D+01
      3  -0.333633D+01  0.329848D+00  0.841793D+01  0.217343D+01  0.672560D+00
                66            67            68            69            70 
      1   0.217343D+01 -0.383449D+01  0.865079D+00  0.871752D+00  0.362911D+01
      2   0.672560D+00  0.865079D+00  0.272191D+01  0.141877D+01  0.165522D+01
      3  -0.142701D+01  0.871752D+00  0.141877D+01  0.457889D+00 -0.249124D+01
                71            72            73            74            75 
      1   0.165522D+01 -0.249124D+01 -0.218181D+01  0.101444D+01 -0.182600D+00
      2   0.174713D+01  0.118930D+00  0.101444D+01 -0.216988D+01  0.915731D+00
      3   0.118930D+00 -0.605590D+01 -0.182600D+00  0.915731D+00 -0.131685D+00
                76            77            78            79            80 
      1   0.356212D+00 -0.386539D+01  0.968734D+00  0.569941D+00  0.181067D+01
      2  -0.386539D+01 -0.775985D+01 -0.515935D+00  0.181067D+01 -0.459564D-01
      3   0.968734D+00 -0.515935D+00 -0.351168D+01 -0.144529D+01 -0.591296D+01
                81            82            83            84            85 
      1  -0.144529D+01 -0.551791D+01 -0.417028D+01  0.203679D+00 -0.403305D+01
      2  -0.591296D+01 -0.417028D+01 -0.363383D+01  0.188854D+00 -0.471451D+01
      3   0.341012D+01  0.203679D+00  0.188854D+00 -0.505837D+00 -0.504483D-01
                86            87            88            89            90 
      1  -0.471451D+01 -0.504483D-01  0.367001D+00  0.165688D+00  0.128714D+00
      2  -0.656634D+01 -0.712507D-02  0.165688D+00 -0.397613D-01  0.126936D+00
      3  -0.712507D-02 -0.598305D+00  0.128714D+00  0.126936D+00 -0.387894D-02
                91            92            93            94            95 
      1  -0.130971D+02  0.134923D+01  0.140822D+01  0.149740D+01 -0.175135D+01
      2   0.134923D+01 -0.822765D+00 -0.153608D+00 -0.175135D+01  0.522902D+00
      3   0.140822D+01 -0.153608D+00 -0.936634D+00 -0.296700D+00  0.202311D+00
                96            97            98            99           100 
      1  -0.296700D+00  0.175093D+01 -0.330094D+00  0.840786D-02 -0.215909D+01
      2   0.202311D+00 -0.330094D+00  0.177051D+00  0.237443D-01  0.240151D+01
      3   0.166463D+00  0.840786D-02  0.237443D-01  0.992329D-01  0.353744D+00
               101           102           103           104           105 
      1   0.240151D+01  0.353744D+00  0.232416D+01 -0.370316D+01 -0.392025D+00
      2  -0.267212D+01 -0.396406D+00 -0.370316D+01  0.909028D+01  0.957740D+00
      3  -0.396406D+00 -0.409659D+00 -0.392025D+00  0.957740D+00  0.858794D+00
               106           107           108           109           110 
      1   0.370665D+00 -0.560481D+00 -0.851604D-01  0.122272D+01 -0.170368D+01
      2  -0.560481D+00  0.119098D+01  0.126074D+00 -0.170368D+01  0.196793D+01
      3  -0.851604D-01  0.126074D+00  0.593015D-01 -0.149701D+00  0.323718D+00
               111           112           113           114           115 
      1  -0.149701D+00 -0.127337D+01  0.173443D+01  0.148638D+00 -0.216337D+00
      2   0.323718D+00  0.173443D+01 -0.924636D+01 -0.961005D+00  0.272060D+00
      3   0.155374D+00  0.148638D+00 -0.961005D+00 -0.817989D+00 -0.436352D-01
               116           117           118           119           120 
      1   0.272060D+00 -0.436352D-01  0.270104D+01 -0.612952D+00 -0.197052D+01
      2  -0.959071D+00 -0.380982D-01 -0.612952D+00  0.703348D+00  0.106116D+00
      3  -0.380982D-01 -0.120052D+00 -0.197052D+01  0.106116D+00  0.181705D+01
               121           122           123           124           125 
      1  -0.102251D+01  0.155705D+01  0.100097D+00 -0.554669D+01  0.543502D+00
      2   0.155705D+01 -0.379748D+00 -0.915275D+00  0.543502D+00 -0.120157D+01
      3   0.100097D+00 -0.915275D+00 -0.347366D+00  0.381468D+01 -0.668442D+00
               126           127           128           129           130 
      1   0.381468D+01 -0.745425D+01 -0.852803D+00  0.144398D+01 -0.397624D+01
      2  -0.668442D+00 -0.852803D+00  0.308941D+01 -0.399854D+00  0.320776D+01
      3  -0.911004D+01  0.144398D+01 -0.399854D+00  0.171578D+01 -0.513660D+00
               131           132           133           134           135 
      1   0.320776D+01 -0.513660D+00  0.219223D+01 -0.116634D+01  0.107427D+01
      2   0.264242D+01  0.278686D+01 -0.116634D+01  0.325919D+01  0.732478D+00
      3   0.278686D+01  0.162777D-01  0.107427D+01  0.732478D+00 -0.632473D+01
               136           137           138           139           140 
      1   0.920307D+01  0.329176D+01 -0.177274D+01  0.288803D+01  0.212446D+01
      2   0.329176D+01  0.198180D+01 -0.628377D+00  0.212446D+01  0.165377D+01
      3  -0.177274D+01 -0.628377D+00  0.133284D+01 -0.602389D+00 -0.756456D+00
               141           142           143           144           145 
      1  -0.602389D+00 -0.399760D+01 -0.139532D+01  0.208768D+01  0.158633D+01
      2  -0.756456D+00 -0.139532D+01 -0.136233D+01  0.821732D+00  0.545408D+00
      3   0.484093D+00  0.208768D+01  0.821732D+00 -0.752010D+00  0.128204D+01
               146           147           148           149           150 
      1   0.545408D+00  0.128204D+01  0.133676D+00  0.432481D+00 -0.203041D+00
      2   0.122207D-01  0.145521D+00  0.432481D+00 -0.175817D+00  0.648526D+00
      3   0.145521D+00  0.916498D+00 -0.203041D+00  0.648526D+00 -0.439982D+00
               151           152           153           154           155 
      1   0.228618D+01  0.726212D-01  0.293249D+01  0.108203D+01  0.800655D+00
      2   0.726212D-01  0.144191D+01  0.640428D+00  0.800655D+00  0.273744D+00
      3   0.293249D+01  0.640428D+00  0.720222D+01 -0.943755D+00 -0.370938D+00
               156           157           158           159           160 
      1  -0.943755D+00  0.909019D+00  0.174380D+01 -0.629810D+00 -0.286131D+01
      2  -0.370938D+00  0.174380D+01  0.541422D+01 -0.257578D+01 -0.210780D+01
      3   0.374256D+00 -0.629810D+00 -0.257578D+01  0.229911D+01  0.144725D+01
               161           162           163           164           165 
      1  -0.210780D+01  0.144725D+01 -0.249566D+00  0.641758D+00  0.691950D+00
      2  -0.527500D+01  0.483477D+01  0.641758D+00 -0.798180D+00 -0.182622D+00
      3   0.483477D+01 -0.611672D+01  0.691950D+00 -0.182622D+00 -0.165345D+00
               166           167           168           169           170 
      1   0.137521D+01  0.130617D+01  0.194173D+00  0.103546D+01  0.313449D+00
      2   0.130617D+01  0.874218D+01  0.263449D+01  0.313449D+00  0.472203D+01
      3   0.194173D+00  0.263449D+01  0.203051D+01  0.541873D+00  0.340573D+01
               171           172           173           174           175 
      1   0.541873D+00  0.173786D+00  0.886907D-01  0.580450D+00  0.653940D+00
      2   0.340573D+01  0.886907D-01 -0.715854D+00  0.239187D+00 -0.258396D+00
      3   0.194465D+01  0.580450D+00  0.239187D+00 -0.117307D+01  0.122600D+00
               176           177           178           179           180 
      1  -0.258396D+00  0.122600D+00  0.160880D+01 -0.570772D+00  0.672108D+00
      2  -0.516067D+00  0.547514D+00 -0.570772D+00  0.156515D+01 -0.136624D+01
      3   0.547514D+00  0.772718D-02  0.672108D+00 -0.136624D+01  0.747008D+01
               181           182           183           184           185 
      1   0.126317D+02 -0.195178D+01 -0.282591D+00  0.817638D+00  0.791519D+00
      2  -0.195178D+01  0.146252D+01 -0.846105D-01  0.791519D+00 -0.386455D+00
      3  -0.282591D+00 -0.846105D-01  0.110186D+01  0.885312D-01 -0.342318D+00
               186           187           188           189           190 
      1   0.885312D-01 -0.160308D+01  0.342660D+00  0.114319D+01  0.207467D+00
      2  -0.342318D+00  0.342660D+00 -0.735573D+00 -0.257001D+00 -0.542869D+00
      3   0.150764D+00  0.114319D+01 -0.257001D+00  0.105352D+00 -0.454846D+00
               191           192           193           194           195 
      1  -0.542869D+00 -0.454846D+00 -0.138444D+01  0.508190D+00 -0.925542D-01
      2  -0.131884D+01 -0.105905D+00  0.508190D+00 -0.803994D+01 -0.154986D+01
      3  -0.105905D+00 -0.454226D+00 -0.925542D-01 -0.154986D+01 -0.143678D+01
               196           197           198 
      1  -0.114991D+01  0.441488D+00 -0.643649D-01
      2   0.441488D+00 -0.254942D+01 -0.138504D+01
      3  -0.643649D-01 -0.138504D+01 -0.535127D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.145532D+01 -0.188215D+00 -0.462597D+01  0.116583D+01  0.612166D-01
      2   0.809506D+00  0.114676D+01  0.311771D+01 -0.386630D+00 -0.737660D+00
      3  -0.721843D+01 -0.120503D+02 -0.239262D+00  0.807422D+01 -0.347128D+01
                 6             7             8             9            10 
      1  -0.189730D+01 -0.838187D+01  0.320611D+01  0.131776D+01  0.560266D+00
      2   0.784988D+01 -0.222991D+01  0.121189D+02  0.139600D+01  0.287875D+00
      3   0.240091D+00  0.137149D+01  0.211061D+01 -0.573776D+01  0.456403D+01
                11            12            13            14            15 
      1   0.522946D+00  0.835177D+00  0.123518D+01 -0.128373D+01  0.305392D+01
      2  -0.335935D+00  0.941698D+01 -0.216891D+01 -0.162610D+00 -0.190376D+01
      3  -0.897855D+01 -0.680951D-01  0.119878D+02  0.422950D+01 -0.178723D+01
                16            17            18            19            20 
      1   0.231826D+01  0.120964D+02  0.106595D+01  0.110548D+01 -0.842509D+00
      2   0.912076D+01 -0.345765D+01 -0.312494D+01  0.631378D+00  0.266108D-01
      3   0.103504D+01 -0.323908D+00  0.246911D+01 -0.315987D+01 -0.163117D+02
                21            22            23            24            25 
      1  -0.329491D+00 -0.113483D+01  0.491266D+00 -0.316868D+01  0.419275D+01
      2  -0.105973D+01  0.104834D+01  0.159984D+01 -0.691906D+01 -0.921504D+01
      3  -0.778901D+00 -0.414709D+00  0.140908D+01 -0.302061D+00  0.694629D+00
                26            27            28            29            30 
      1   0.232635D+01 -0.214297D+00 -0.175681D+01  0.185603D+01 -0.122331D+01
      2  -0.103600D+02 -0.978773D+00 -0.331140D+01 -0.147562D+01 -0.106803D+01
      3   0.109753D+01  0.563932D+01 -0.421768D+01  0.568480D+01  0.183256D+01
                31            32            33            34            35 
      1   0.187630D+01  0.565512D+00 -0.105019D+01 -0.262715D+01  0.637109D+01
      2   0.189057D+01 -0.188038D+01 -0.135857D+01 -0.151400D+02 -0.121720D+01
      3   0.975685D+01  0.212738D+02 -0.129279D+01  0.320414D+01 -0.164824D+01
                36            37            38            39            40 
      1   0.444668D+00  0.650912D+00  0.174865D+01  0.154198D+01  0.222670D+01
      2   0.147437D+01 -0.172305D+01 -0.120175D+01 -0.435804D+00 -0.101761D+01
      3   0.348486D+01 -0.847140D+01  0.115270D+02  0.149140D+01  0.994906D+01
                41            42            43            44            45 
      1  -0.226910D+00 -0.425517D+00  0.362645D+01  0.104581D+02 -0.223161D+00
      2   0.333149D+00  0.630041D+00 -0.128063D+02  0.326459D+00  0.145204D+01
      3  -0.625798D+01 -0.139928D+01 -0.740494D+00 -0.563055D+01 -0.251128D+01
                46            47            48            49            50 
      1   0.692798D+00 -0.629626D+00  0.432657D+01 -0.482730D+00 -0.905362D+00
      2  -0.292386D+01  0.204081D+01 -0.261947D+01 -0.125577D+00  0.787937D+00
      3   0.105071D+02 -0.377355D+01 -0.261636D+01  0.768911D+01 -0.756648D+01
                51            52            53            54            55 
      1  -0.360320D+01  0.439847D+01  0.654857D+00 -0.171792D+01 -0.133547D+01
      2   0.206803D+01 -0.143998D+02  0.186904D+01  0.201754D+01 -0.141227D+00
      3  -0.468024D-01 -0.426774D+01  0.105333D+01 -0.536916D+01 -0.259987D+01
                56            57            58            59            60 
      1   0.196673D+01 -0.134645D+01  0.287075D+01 -0.106097D+01 -0.115030D+01
      2   0.111910D+01 -0.116684D+01  0.145097D+01 -0.582069D+01  0.102941D+01
      3  -0.265233D+01 -0.119099D+01  0.119985D+02  0.767903D+01  0.448248D+01
                61            62            63            64            65 
      1  -0.322396D+01  0.631886D+01  0.307120D+01 -0.334352D+01 -0.114907D+01
      2  -0.104671D+02  0.743230D+00  0.128236D+02  0.706574D+01  0.335011D+01
      3  -0.343937D+01  0.740080D+01  0.196112D+01  0.858727D+01 -0.126533D+02
                66            67            68            69            70 
      1   0.179876D+01 -0.172157D+01 -0.345166D+01 -0.234759D+01  0.381643D+01
      2  -0.196655D+01  0.398775D+01  0.346382D+01  0.548771D+00 -0.114983D+02
      3   0.163593D+01 -0.859663D+01 -0.551374D+01 -0.350859D+01  0.855478D+00
                71            72            73            74            75 
      1   0.192061D+01  0.572692D+01  0.687342D+00 -0.264383D+01 -0.169800D+00
      2  -0.127560D+01 -0.123490D+02 -0.122115D+01  0.101760D+01  0.169680D+01
      3  -0.435112D+01 -0.317434D+01 -0.751728D+01  0.145704D+01 -0.158905D+01
                76            77            78            79            80 
      1  -0.790781D+00  0.481371D+01  0.686433D+01  0.547108D+01  0.212394D+02
      2   0.339236D+00  0.237317D+00 -0.233889D+01 -0.537707D+01 -0.536012D+01
      3   0.136084D+02 -0.584903D+01  0.382147D+01 -0.954663D+00  0.751709D+01
                81            82            83            84            85 
      1  -0.635799D+01  0.358817D+00  0.396818D+00 -0.237973D+01 -0.145890D+00
      2   0.268676D+01 -0.716390D+00 -0.741499D+00  0.304245D+01 -0.220731D-02
      3   0.141736D+01 -0.121341D+01 -0.476949D+01  0.294280D+00 -0.338427D+01
                86            87            88            89            90 
      1  -0.474316D-01 -0.324668D+01  0.123546D+01  0.171542D+01  0.274604D-01
      2  -0.167139D+00  0.301762D+01 -0.143738D+01 -0.128266D+01 -0.812822D-01
      3  -0.106948D+02  0.961849D-01 -0.374274D+00 -0.775262D+00  0.375546D+00
                91            92            93            94            95 
      1   0.460388D-01 -0.450623D+00  0.643031D+00 -0.219752D+00  0.138852D+00
      2  -0.202263D+01  0.245903D+00  0.619733D+01  0.732083D+00 -0.437342D+00
      3   0.223363D+01 -0.550474D+01 -0.308827D+00 -0.421474D+01  0.186384D+01
                96            97            98            99           100 
      1  -0.504102D+00 -0.501238D+00  0.416402D+00 -0.775869D-01 -0.935722D-01
      2  -0.943055D+00 -0.284512D+01  0.487408D+00 -0.512333D+00 -0.411711D+00
      3   0.589272D+00 -0.531768D+00  0.676240D+00 -0.178330D+00  0.937725D+00
               101           102           103           104           105 
      1   0.181282D+00  0.156785D+01  0.572498D-01  0.413933D+00 -0.432919D+01
      2   0.602587D+00  0.143525D+01  0.363876D+00 -0.174767D+01 -0.261890D+01
      3  -0.282887D+01 -0.372316D+00 -0.825331D+00  0.147674D+02  0.151158D+01
               106           107           108           109           110 
      1  -0.438844D+00  0.180916D+01 -0.426799D+00  0.195113D+00  0.130695D-01
      2  -0.103093D+01  0.634724D+00 -0.187788D+00  0.623290D+00 -0.696682D+00
      3  -0.250040D+00  0.141119D+01 -0.271095D+00 -0.647612D+01  0.553158D+01
               111           112           113           114           115 
      1   0.119659D+01 -0.261065D+00  0.635645D+00 -0.425723D+01 -0.501734D+00
      2   0.292892D+00 -0.880621D+00  0.959198D+00 -0.335470D+00 -0.112450D+01
      3   0.543435D+00  0.820002D+01 -0.118572D+02 -0.120131D+01  0.100181D+01
               116           117           118           119           120 
      1   0.208417D+01 -0.238600D+00 -0.720476D+00 -0.145745D+01  0.834988D+00
      2   0.232729D+00 -0.204221D+00 -0.124198D+01 -0.206216D-01  0.357947D+01
      3  -0.185775D+01  0.127471D+00 -0.853903D+00 -0.356272D+01  0.113334D+01
               121           122           123           124           125 
      1  -0.127101D+01 -0.511634D+00 -0.101941D+01  0.877775D+00  0.273802D+01
      2   0.272415D+00 -0.221786D-01 -0.957011D+00  0.167274D+01 -0.509640D+00
      3  -0.231205D+01 -0.854082D+00  0.193678D+01  0.182881D+01  0.242670D+01
               126           127           128           129           130 
      1  -0.343952D+01  0.268655D+01 -0.717938D-01  0.311884D+01 -0.224008D+01
      2  -0.144318D+02  0.800744D+01 -0.216194D+01  0.596568D+01 -0.269025D+01
      3  -0.236163D+00  0.201313D+02 -0.122037D+02 -0.150239D+01 -0.208514D+01
               131           132           133           134           135 
      1   0.899210D+01 -0.133326D+00  0.200018D+00  0.437529D+01 -0.103004D+02
      2   0.700782D+01  0.390857D+00 -0.248118D+00  0.280467D+01 -0.162205D+02
      3  -0.167176D+02 -0.784232D+01 -0.888244D+00 -0.764144D+01 -0.443989D+01
               136           137           138           139           140 
      1   0.232091D+01  0.495771D+00 -0.255644D+01  0.696175D+00  0.724566D+00
      2  -0.465206D+01 -0.180221D+01  0.602179D+01 -0.170349D+01 -0.183608D+01
      3   0.475487D+01 -0.416978D+01 -0.968628D+00  0.667847D+00 -0.218836D+01
               141           142           143           144           145 
      1  -0.152669D+01 -0.258088D+01  0.151115D+00  0.118852D+01 -0.109701D+01
      2   0.194905D+01  0.388412D+01  0.179441D+01 -0.264134D+01  0.167293D+01
      3   0.126932D+01 -0.220966D+01  0.310518D+01  0.796992D+00 -0.177833D+00
               146           147           148           149           150 
      1   0.212047D+00 -0.135688D+01  0.287012D+00 -0.129510D+01 -0.331636D+00
      2  -0.257714D+00  0.305644D+01 -0.765136D+00  0.104188D+01 -0.855221D+00
      3  -0.198683D+00  0.134442D+01  0.175799D+01  0.227046D+01 -0.152475D+01
               151           152           153           154           155 
      1  -0.351838D+01  0.269169D+01 -0.841914D+01  0.190779D+01  0.320778D+00
      2   0.283710D+01  0.148136D+01  0.160310D+02  0.435577D+00 -0.249791D+00
      3   0.360186D+01 -0.535878D+01  0.199670D+01  0.397703D+01  0.156978D+00
               156           157           158           159           160 
      1  -0.886307D+00  0.138755D+01  0.351891D+01 -0.666073D+01 -0.323632D+01
      2   0.128283D+01  0.101685D+00 -0.185944D+01  0.203920D+01 -0.616771D+00
      3  -0.209094D+01  0.173035D+01 -0.703599D+00  0.663805D+00 -0.631664D+01
               161           162           163           164           165 
      1  -0.834410D+01  0.137844D+02 -0.107298D+01  0.590173D+00  0.476968D+00
      2   0.376237D+01 -0.496830D+01  0.230245D+00 -0.339083D+00  0.720571D+00
      3  -0.222295D+00 -0.954317D+00 -0.943126D+00 -0.351217D+00  0.169042D+01
               166           167           168           169           170 
      1  -0.149962D+01 -0.735473D+01 -0.753840D+01 -0.154488D+01 -0.747356D+01
      2  -0.447336D+00  0.220967D+01  0.164217D+01 -0.681363D+00  0.234721D+01
      3   0.482037D+01 -0.478543D+01 -0.224300D+01  0.438300D+01 -0.401040D+01
               171           172           173           174           175 
      1  -0.628812D+01  0.843170D+00 -0.555589D+00 -0.182278D+01 -0.938261D-01
      2   0.133693D+01  0.214334D+01  0.493610D+00 -0.240477D+01  0.203078D+00
      3  -0.214619D+01 -0.234481D+00  0.148224D+01 -0.157621D+01  0.121543D+01
               176           177           178           179           180 
      1   0.978535D+00 -0.116756D+01  0.386886D+00  0.145743D+01  0.132944D+02
      2   0.126626D+01 -0.293672D+00 -0.249844D+01 -0.301400D+01  0.190302D+02
      3   0.155131D+01 -0.133798D+01 -0.175009D+01 -0.364260D+01  0.353523D+01
               181           182           183           184           185 
      1  -0.194421D+00  0.185061D+00  0.210622D+01  0.255958D+00 -0.654771D+00
      2  -0.399061D+01 -0.475325D-01  0.635425D+01  0.231205D+00 -0.972669D+00
      3  -0.173421D+02 -0.485475D+01  0.982525D+00 -0.167312D+01 -0.179266D+00
               186           187           188           189           190 
      1  -0.469722D+00  0.136546D+01  0.346650D+00  0.231606D+00 -0.985614D+00
      2   0.521711D+00  0.194439D+01 -0.375953D+00  0.212280D+00 -0.126402D+01
      3   0.109181D+01  0.151310D+01  0.184449D+01 -0.900373D+00  0.379222D+01
               191           192           193           194           195 
      1  -0.500646D+00 -0.174981D+01 -0.484775D+00 -0.527447D+01 -0.595705D+01
      2   0.198082D-01 -0.592991D+00 -0.433435D+00 -0.326304D+01 -0.316312D+01
      3   0.457409D+01  0.162093D+01  0.554669D+01  0.225341D+02  0.507176D+01
               196           197           198 
      1  -0.393390D+00 -0.210933D+01 -0.171658D+01
      2  -0.133962D+01 -0.268939D+01 -0.104903D+01
      3   0.223362D+01  0.681919D+01  0.411518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401987D+00 -0.246991D+02 -0.150811D+01  0.301040D+02  0.703932D+01
      2  -0.329849D+01  0.180545D+02 -0.770806D+00 -0.305066D+02 -0.123422D+02
      3   0.370048D+01  0.664460D+01  0.227892D+01  0.402590D+00  0.530283D+01
      4  -0.197691D+02  0.829330D+01  0.556643D+01  0.849939D+01 -0.129778D+02
      5   0.199697D+01  0.611931D+01  0.761996D+01 -0.299012D+00 -0.315837D+01
      6   0.526146D+01  0.230750D+01  0.103169D+02 -0.346578D+01  0.334445D+00
                 6             7             8             9            10 
      1   0.714321D+00  0.682419D+01  0.657846D+01  0.195248D+01 -0.638685D+01
      2   0.947269D+00 -0.501285D+01 -0.565744D+01 -0.845638D+01  0.211142D+01
      3  -0.166159D+01 -0.181135D+01 -0.921021D+00  0.650390D+01  0.427543D+01
      4  -0.415951D+01  0.465143D+01 -0.258492D+01  0.170997D+02  0.365523D+01
      5   0.169178D+02  0.244276D+02  0.189793D+02  0.246694D+01  0.991204D+01
      6   0.567428D+01  0.107979D+02  0.163981D+02 -0.214969D+01 -0.860649D+00
                11            12            13            14            15 
      1   0.205933D+01  0.702454D+01 -0.143233D+02 -0.250883D+02 -0.244114D+01
      2  -0.529802D-01 -0.354478D+01  0.125594D+02  0.256921D+02  0.375594D+01
      3  -0.200635D+01 -0.347976D+01  0.176393D+01 -0.603719D+00 -0.131481D+01
      4   0.245621D+02 -0.913815D+00 -0.298200D+02  0.854860D+01  0.361101D+01
      5  -0.152068D+01  0.203810D+02 -0.573401D+01  0.273132D+01 -0.426662D+01
      6  -0.103489D+01 -0.205476D+01  0.315853D+01 -0.759640D+00 -0.714918D+01
                16            17            18            19            20 
      1   0.105274D+02 -0.395095D+01  0.153592D+02  0.131589D+02  0.217666D+02
      2  -0.357155D+01  0.259577D+01 -0.212376D+02 -0.119715D+02 -0.156015D+02
      3  -0.695583D+01  0.135518D+01  0.587844D+01 -0.118739D+01 -0.616510D+01
      4  -0.647125D+01 -0.944481D+00 -0.231012D+01  0.122727D+02 -0.123962D+02
      5   0.379520D+02 -0.416068D+01 -0.658793D+01  0.132169D+01 -0.416077D+01
      6  -0.283934D+00  0.521860D+01 -0.160416D+01 -0.253107D+01  0.498454D+01
                21            22            23            24            25 
      1  -0.709239D+00 -0.225351D+02  0.128348D+02  0.108298D+01  0.788974D-02
      2   0.201798D+00  0.216609D+02 -0.212859D+02 -0.418268D+01  0.202845D+01
      3   0.507441D+00  0.874248D+00  0.845107D+01  0.309970D+01 -0.203634D+01
      4  -0.374367D+01  0.109271D+02  0.162038D+01  0.212669D+01 -0.431393D+01
      5  -0.334347D+01 -0.608108D+00  0.269665D+01 -0.136859D+02  0.121011D+02
      6  -0.541608D+00  0.163863D+01 -0.496058D+01  0.774210D+01 -0.763580D+01
                26            27            28            29            30 
      1  -0.213552D+01 -0.418106D+01 -0.882821D+01 -0.268685D+02 -0.972584D+00
      2  -0.275564D+01 -0.602234D+01  0.759634D+01  0.199983D+02 -0.147124D+01
      3   0.489116D+01  0.102034D+02  0.123187D+01  0.687023D+01  0.244383D+01
      4   0.628353D+01 -0.166224D+02 -0.961382D+01 -0.905177D+01 -0.365356D+00
      5  -0.161188D+02 -0.208161D+01 -0.153066D+01  0.123211D+00 -0.124384D+01
      6   0.136411D+02  0.233129D+01 -0.195031D+00 -0.338511D+01  0.283693D+01
                31            32            33            34            35 
      1  -0.119677D+02 -0.884054D+01 -0.758780D+00  0.169888D+01  0.742425D+00
      2   0.977167D+00  0.829817D+01  0.274197D+00 -0.245604D+01 -0.769783D+00
      3   0.109905D+02  0.542365D+00  0.484583D+00  0.757163D+00  0.273582D-01
      4   0.686915D+01 -0.875946D+01 -0.207355D+01 -0.791427D+00  0.203514D+01
      5  -0.276641D+01 -0.211054D+01 -0.884790D+00  0.136259D+01 -0.323243D+01
      6  -0.738219D+01 -0.170181D+01  0.288927D+01  0.241971D+01  0.106082D+02
                36            37            38            39            40 
      1  -0.127476D+02 -0.242217D+02  0.513723D+01 -0.689427D+00 -0.297907D+01
      2   0.266400D+01  0.855258D+01 -0.115382D+01  0.297078D+00  0.553131D+01
      3   0.100836D+02  0.156691D+02 -0.398341D+01  0.392349D+00 -0.255224D+01
      4  -0.178119D+01 -0.605838D+01  0.714531D+01  0.757475D+00 -0.992138D+01
      5   0.194331D+01 -0.738797D+01 -0.248159D+00  0.120156D+01  0.552308D+00
      6  -0.123608D+01  0.555550D+00 -0.189816D+01 -0.212084D+01  0.544934D+01
                41            42            43            44            45 
      1  -0.279305D+01  0.101520D+01  0.422327D+01 -0.211387D+01 -0.841447D+01
      2   0.111131D+02  0.128291D+01 -0.752873D+00  0.212417D+01 -0.314390D+01
      3  -0.832004D+01 -0.229811D+01 -0.347040D+01 -0.102945D-01  0.115584D+02
      4   0.685125D+01  0.341786D+01 -0.177081D+01  0.414655D+01 -0.152907D+01
      5   0.240487D+01  0.192085D+00  0.366973D+01  0.104740D+01  0.576690D+00
      6   0.912600D+00 -0.576242D+00 -0.145299D+01  0.445328D+01  0.899578D+00
                46            47            48            49            50 
      1   0.793905D+01  0.116531D+02 -0.111834D+01  0.387569D+01  0.631270D+01
      2  -0.535230D+01 -0.113117D+02  0.167384D+01  0.485763D+01 -0.139548D+02
      3  -0.258675D+01 -0.341366D+00 -0.555506D+00 -0.873333D+01  0.764205D+01
      4   0.104075D+02 -0.212395D+02 -0.221999D+01  0.160291D+02  0.128474D+02
      5   0.142626D+00 -0.234403D+01 -0.622319D+01  0.164591D+01  0.704067D+00
      6  -0.395331D+01  0.288236D+01 -0.858321D+01  0.352372D+00 -0.471641D+01
                51            52            53            54            55 
      1   0.205851D+01 -0.850936D+00  0.628100D-01 -0.170364D+02  0.171190D+02
      2  -0.360547D+01  0.200726D+01 -0.365624D+01  0.438401D+01 -0.500817D+01
      3   0.154697D+01 -0.115633D+01  0.359343D+01  0.126523D+02 -0.121108D+02
      4   0.243223D+00  0.258015D+01  0.435517D+01  0.712963D+01  0.111785D+02
      5   0.219478D+01  0.123606D+01  0.742184D+01  0.499834D+01  0.451128D+01
      6   0.806252D+01 -0.239721D+01  0.179649D+02  0.492926D+01  0.816702D-02
                56            57            58            59            60 
      1   0.100022D+01 -0.931028D+00  0.515916D+01 -0.819899D+01  0.142954D+01
      2   0.235699D+01 -0.383601D+01 -0.476018D+00  0.239639D-01  0.954692D+00
      3  -0.335720D+01  0.476703D+01 -0.468314D+01  0.817502D+01 -0.238423D+01
      4  -0.120141D+02  0.786554D+00 -0.229148D+02 -0.607690D+01 -0.834479D+01
      5   0.165090D+01 -0.100975D+02  0.233762D+01 -0.827580D+01  0.377269D+01
      6  -0.383733D+01  0.342059D+01 -0.605565D+01  0.316568D+01 -0.266159D+01
                61            62            63            64            65 
      1  -0.114580D+02  0.223610D+01  0.376524D+01 -0.161654D+02 -0.186923D+02
      2  -0.109778D+02  0.345513D+01  0.113344D+02  0.192697D+01  0.104967D+02
      3   0.224358D+02 -0.569123D+01 -0.150996D+02  0.142384D+02  0.819563D+01
      4   0.133906D+01 -0.134666D+02  0.502013D+01 -0.222311D+02 -0.662121D+01
      5  -0.162554D+02  0.313486D+01  0.349627D+02  0.146197D+02  0.517873D+01
      6   0.590433D+01 -0.264917D+00 -0.798004D+01  0.632235D+01  0.303750D+01
                66            67            68            69            70 
      1   0.922379D+01 -0.205719D+02  0.126051D+01  0.156266D+01  0.154038D+02
      2  -0.169379D+01  0.115176D+02  0.174636D+01  0.982853D+00 -0.138779D-01
      3  -0.753000D+01  0.905429D+01 -0.300687D+01 -0.254552D+01 -0.153899D+02
      4   0.645527D+01 -0.300443D+01  0.134646D+02  0.716531D+01  0.135220D+02
      5  -0.767579D+01  0.628270D+01  0.610475D+01  0.139647D+01 -0.139870D+02
      6  -0.323724D+01  0.445206D+01  0.603703D+01  0.173540D+01 -0.666696D+01
                71            72            73            74            75 
      1   0.695869D+01 -0.864371D+01 -0.673051D+01  0.109627D+02 -0.413046D+01
      2  -0.176991D+01  0.159823D+02  0.101085D+02 -0.651798D+01  0.454096D+01
      3  -0.518878D+01 -0.733863D+01 -0.337803D+01 -0.444476D+01 -0.410499D+00
      4   0.970410D+01 -0.669772D+01  0.448150D+01  0.546723D+01 -0.501015D-01
      5  -0.257240D+01 -0.270867D+02 -0.154313D+01  0.955882D+00 -0.133012D+01
      6   0.338501D+01 -0.988704D+01  0.906852D+00  0.601944D+01 -0.489105D+00
                76            77            78            79            80 
      1   0.239847D+02  0.284508D+02  0.468693D+00 -0.972132D+01 -0.165154D+01
      2  -0.183236D+02 -0.302829D+02 -0.807034D+01  0.643203D+01 -0.895678D+01
      3  -0.566101D+01  0.183213D+01  0.760165D+01  0.328929D+01  0.106083D+02
      4   0.224016D+01 -0.593550D+01  0.134129D+00  0.229395D+00  0.245093D+01
      5   0.249254D+01  0.874616D+00 -0.631904D+01 -0.173260D+01 -0.963476D+01
      6   0.496751D+01 -0.575236D+01 -0.206409D+02 -0.108827D+02 -0.387728D+02
                81            82            83            84            85 
      1   0.269750D+02  0.248223D+02  0.151644D+02 -0.313011D+00  0.104277D+02
      2  -0.258219D+02 -0.442378D+01  0.128261D+01  0.119610D+00  0.733415D+01
      3  -0.115310D+01 -0.203986D+02 -0.164470D+02  0.193401D+00 -0.177618D+02
      4  -0.737682D+01  0.370398D+02  0.331388D+02 -0.118005D+01  0.372947D+02
      5   0.747013D+01 -0.571954D+00 -0.756513D+00  0.552302D+01  0.760467D+00
      6   0.162528D+02 -0.123059D+01 -0.126988D+01  0.306669D+01 -0.198202D+00
                86            87            88            89            90 
      1   0.468867D+01  0.132344D+00 -0.195735D+01 -0.149367D+01 -0.848023D-01
      2   0.172640D+02 -0.343476D+00  0.109903D+01  0.113426D+01  0.102595D+01
      3  -0.219527D+02  0.211132D+00  0.858325D+00  0.359410D+00 -0.941152D+00
      4   0.458405D+02  0.515802D-01 -0.161249D+01 -0.506276D+00  0.129453D+01
      5   0.874622D+00  0.434201D+01  0.624591D+00 -0.482069D-01 -0.450079D+00
      6  -0.527632D+00  0.524701D+01  0.459578D+00  0.955841D+00 -0.170333D-01
                91            92            93            94            95 
      1   0.983279D+02 -0.963920D+01 -0.885732D+01 -0.980606D+01  0.986279D+01
      2  -0.572670D+02  0.520820D+01  0.620118D+01  0.485113D+01 -0.481916D+01
      3  -0.410609D+02  0.443099D+01  0.265615D+01  0.495493D+01 -0.504362D+01
      4  -0.138514D+02  0.964300D+01  0.132070D+01  0.163196D+02 -0.469693D+01
      5  -0.129874D+02  0.135209D+01  0.106215D+02  0.249500D+01 -0.165726D+01
      6   0.219303D+00 -0.685309D+00 -0.685150D+00 -0.116799D+01  0.282642D+00
                96            97            98            99           100 
      1   0.143490D+01 -0.123900D+02  0.165274D+01  0.248108D+01  0.567676D+01
      2  -0.108946D+01  0.744116D+01 -0.858959D+00 -0.134168D+01  0.218053D+01
      3  -0.345436D+00  0.494881D+01 -0.793779D+00 -0.113941D+01 -0.785729D+01
      4  -0.169293D+01  0.292173D+01 -0.136632D+01 -0.774565D+00 -0.173896D+02
      5  -0.134644D+01  0.224109D+01 -0.110643D-01 -0.198726D+01 -0.203380D+01
      6   0.197576D+01 -0.205871D+00  0.767441D+00  0.437234D+00  0.177249D+01
               101           102           103           104           105 
      1  -0.424122D+01 -0.527809D+00 -0.152403D-01 -0.141503D+02 -0.152405D+01
      2  -0.425025D+01 -0.205998D-03 -0.100877D+02  0.345179D+02  0.238319D+01
      3   0.849147D+01  0.528015D+00  0.101030D+02 -0.203675D+02 -0.859141D+00
      4   0.211895D+02  0.267551D+01  0.247758D+02 -0.463550D+02 -0.466107D+01
      5   0.232147D+01  0.353110D+01  0.234242D+01 -0.361039D+01 -0.429252D+01
      6  -0.216057D+01 -0.231822D+01 -0.255990D+01  0.633738D+01  0.722637D+01
               106           107           108           109           110 
      1  -0.719119D+00 -0.105315D+01 -0.150705D+01 -0.453554D+01  0.781711D+01
      2  -0.747424D+00  0.330224D+01  0.244357D+01  0.661123D+01 -0.987303D+01
      3   0.146654D+01 -0.224909D+01 -0.936518D+00 -0.207569D+01  0.205592D+01
      4   0.417002D+01 -0.610112D+01 -0.143944D+01 -0.326847D+01  0.767625D+01
      5   0.110385D+01 -0.828965D+00 -0.871289D+00  0.327975D+00 -0.564759D-01
      6  -0.120671D+01  0.283526D+01  0.133222D+01  0.120292D+01 -0.236481D+01
               111           112           113           114           115 
      1   0.159753D+01  0.629197D+01 -0.362952D+02 -0.413248D+01  0.102526D+01
      2  -0.113018D+01 -0.817601D+01  0.510290D+02  0.415166D+01 -0.128478D+01
      3  -0.467351D+00  0.188404D+01 -0.147338D+02 -0.191830D-01  0.259521D+00
      4   0.298315D+00  0.601360D+01  0.283501D+01  0.498964D+00  0.406323D+00
      5   0.118885D+01 -0.255707D-01  0.172154D+01  0.367596D+00  0.519875D+00
      6  -0.153469D+01 -0.127630D+01  0.769467D+01  0.737396D+01 -0.331330D+00
               116           117           118           119           120 
      1  -0.357289D+01 -0.131277D+01  0.515175D+01 -0.817383D+00 -0.378427D+01
      2   0.470754D+01  0.177984D+01 -0.817538D+01  0.213530D+00  0.574742D+01
      3  -0.113464D+01 -0.467072D+00  0.302362D+01  0.603853D+00 -0.196315D+01
      4  -0.395349D+00 -0.153030D+01 -0.396251D+01  0.698715D+01  0.158554D+01
      5  -0.649835D+00 -0.744307D+00 -0.107058D+02  0.102681D+01  0.149767D+02
      6   0.248486D+01  0.122257D+01  0.192731D+01 -0.683121D-01 -0.163254D+01
               121           122           123           124           125 
      1  -0.411201D+00 -0.161919D+01 -0.328385D+00 -0.169190D+01 -0.869992D+00
      2  -0.631623D+00 -0.493370D+00  0.258151D+00  0.128980D+02 -0.100045D+01
      3   0.104282D+01  0.211256D+01  0.702339D-01 -0.112061D+02  0.187044D+01
      4   0.975211D+01 -0.288826D+01 -0.380292D+01  0.443883D+01 -0.588194D+01
      5   0.231535D+00 -0.372421D+01 -0.143187D+01  0.229471D+02 -0.355886D+01
      6  -0.148403D+01  0.899622D+00  0.764892D+01 -0.390564D+01  0.522379D+01
               126           127           128           129           130 
      1  -0.125600D+02 -0.582650D+02  0.889203D+01  0.437580D+01 -0.318166D+01
      2  -0.222326D+02  0.333870D+02 -0.129694D+02 -0.455445D+01 -0.436874D+01
      3   0.347926D+02  0.248780D+02  0.407732D+01  0.178653D+00  0.755040D+01
      4  -0.354112D+01  0.127579D+02  0.150790D+02 -0.375937D+01  0.218864D+02
      5  -0.379153D+02  0.540081D+01 -0.178995D+01  0.885292D+01 -0.401221D+01
      6   0.849052D+01 -0.696332D+01  0.273775D+01 -0.574095D+01  0.451349D+01
               131           132           133           134           135 
      1   0.235190D+02  0.542116D+01  0.964480D+01  0.292036D+01  0.160192D+02
      2  -0.261484D+02 -0.115327D+02 -0.132884D+01 -0.127670D+02  0.279113D+00
      3   0.262938D+01  0.611155D+01 -0.831596D+01  0.984665D+01 -0.162983D+02
      4   0.297584D+01  0.129513D+02 -0.971230D+01  0.149854D+02 -0.285183D+01
      5   0.153081D+02  0.496794D+00  0.741020D+01  0.178992D+01 -0.266550D+02
      6  -0.136016D+02  0.251499D+00 -0.436342D+01 -0.124365D+01  0.177880D+02
               136           137           138           139           140 
      1   0.492887D+02  0.139414D+02 -0.915137D+01  0.112173D+02  0.547106D+01
      2  -0.221785D+02 -0.314606D+01  0.415555D+01 -0.149748D+01  0.282878D+01
      3  -0.271102D+02 -0.107954D+02  0.499582D+01 -0.971986D+01 -0.829984D+01
      4   0.345970D+02  0.203831D+02 -0.663754D+01  0.197039D+02  0.136551D+02
      5  -0.137079D+02 -0.442018D+01  0.109821D+02 -0.415646D+01 -0.494379D+01
      6  -0.573120D+01 -0.290422D+01  0.444967D+01 -0.300710D+01 -0.300586D+01
               141           142           143           144           145 
      1  -0.153386D+01 -0.161735D+02 -0.323620D+01  0.687279D+01  0.703699D+01
      2  -0.614220D+00  0.833023D+01 -0.113660D+00 -0.594768D+01 -0.611865D+01
      3   0.214808D+01  0.784331D+01  0.334986D+01 -0.925113D+00 -0.918336D+00
      4  -0.539576D+01 -0.127821D+02 -0.978361D+01  0.767453D+01  0.525685D+01
      5   0.342295D+01  0.148108D+02  0.556364D+01 -0.680667D+01  0.771893D+01
      6   0.323676D+01  0.671528D+01  0.382316D+01 -0.342735D+01  0.226705D+01
               146           147           148           149           150 
      1   0.350741D+01  0.436082D+01  0.287112D+00 -0.117370D+01 -0.160567D+01
      2  -0.205820D+01 -0.464779D+01  0.140237D+01 -0.993254D+00  0.236239D+01
      3  -0.144921D+01  0.286964D+00 -0.168948D+01  0.216696D+01 -0.756717D+00
      4   0.263486D+01  0.200914D+01  0.373684D+01 -0.104736D+01  0.335013D+01
      5   0.520205D+00  0.926941D+01 -0.157441D+01  0.322468D+01 -0.241823D+01
      6   0.102112D+01  0.174121D+01  0.111941D+01  0.872886D+00  0.469158D+01
               151           152           153           154           155 
      1   0.841917D+01 -0.209316D+01 -0.157564D+01  0.829601D+00  0.277073D+00
      2  -0.114692D+02  0.172261D+01 -0.185211D+02 -0.149838D+01 -0.776974D-01
      3   0.305006D+01  0.370552D+00  0.200967D+02  0.668774D+00 -0.199376D+00
      4   0.492800D+01  0.769574D+01  0.676443D+01  0.331958D+01  0.675402D+01
      5   0.185489D+02  0.357811D+01  0.343037D+02 -0.209041D+01 -0.345941D+01
      6   0.638448D+01  0.485332D+01  0.150331D+02 -0.573001D+01 -0.204368D+01
               156           157           158           159           160 
      1  -0.356936D+00 -0.507399D+01 -0.230492D+02  0.111998D+02  0.430491D+01
      2  -0.255920D+00  0.609695D+01  0.264226D+02 -0.100587D+02 -0.318602D+01
      3   0.612856D+00 -0.102296D+01 -0.337333D+01 -0.114116D+01 -0.111890D+01
      4  -0.499567D+01  0.531713D+01  0.837480D+01 -0.410122D+01 -0.938095D+01
      5   0.617000D+01 -0.233376D+01 -0.474151D+01  0.447730D+01  0.705012D+01
      6   0.208985D+01 -0.428417D+01 -0.176584D+02  0.177261D+02  0.948528D+01
               161           162           163           164           165 
      1   0.227110D+02 -0.251209D+02  0.270329D-01  0.401607D+01  0.216959D+01
      2  -0.184987D+02  0.122404D+02  0.197065D+01 -0.466595D+01 -0.173922D+01
      3  -0.421235D+01  0.128805D+02 -0.199768D+01  0.649882D+00 -0.430365D+00
      4  -0.934055D+01  0.729470D+01  0.115395D+01  0.748631D+01  0.345446D+01
      5   0.966798D+01 -0.112077D+02  0.965092D+00  0.167006D+01  0.259281D+01
      6   0.322296D+02 -0.338011D+02  0.436793D+01 -0.129457D+01 -0.786596D+00
               166           167           168           169           170 
      1  -0.305793D+01 -0.353203D+02 -0.106113D+02  0.485529D+00 -0.194640D+02
      2   0.476493D+01  0.512064D+02  0.154539D+02  0.128159D+01  0.260246D+02
      3  -0.170700D+01 -0.158862D+02 -0.484259D+01 -0.176712D+01 -0.656058D+01
      4   0.692543D+01  0.103215D+02  0.300901D+01  0.542470D+01  0.555678D+01
      5   0.159941D+01  0.354464D+01  0.332099D+01  0.348922D+01  0.513402D+01
      6   0.186801D+01  0.210296D+02  0.157878D+02  0.403072D+01  0.244524D+02
               171           172           173           174           175 
      1  -0.153711D+02  0.352043D+01 -0.244870D+01  0.540042D+01  0.947896D+00
      2   0.141923D+02 -0.371578D+01  0.288495D+01 -0.681049D+00 -0.893910D+00
      3   0.117881D+01  0.195348D+00 -0.436253D+00 -0.471938D+01 -0.539867D-01
      4   0.412155D+01 -0.288331D+00 -0.203043D+01 -0.153575D+01 -0.462660D+00
      5   0.224003D+01  0.156229D+01  0.254910D+00 -0.835532D+00  0.808992D+00
      6   0.142362D+02 -0.142516D+01 -0.167548D+01  0.340915D+01 -0.150145D+00
               176           177           178           179           180 
      1  -0.555744D+01  0.193515D+01  0.673576D+01  0.377892D+01 -0.175464D+02
      2   0.416071D+01 -0.218640D+01 -0.394839D+01 -0.286831D+01 -0.916821D+01
      3   0.139673D+01  0.251248D+00 -0.278737D+01 -0.910611D+00  0.267146D+02
      4  -0.127567D+01  0.197428D+01 -0.694854D+01  0.770803D+01 -0.301500D+01
      5   0.158417D+01 -0.232251D+00  0.782141D+01 -0.612274D+01  0.325719D+02
      6  -0.172835D+01  0.576023D+01 -0.199770D+01  0.914290D+01 -0.252597D+02
               181           182           183           184           185 
      1   0.858313D+02 -0.835320D+01 -0.339108D+01  0.603753D+01  0.365129D+01
      2  -0.441273D+02  0.742457D+00  0.142106D+01 -0.584553D+01  0.779222D+00
      3  -0.417040D+02  0.761074D+01  0.197002D+01 -0.192002D+00 -0.443051D+01
      4  -0.364132D+02  0.163460D+02  0.756381D+00  0.759437D+01 -0.315314D+01
      5   0.202761D+01 -0.512320D+00  0.108153D+02  0.582521D+00 -0.159378D+01
      6   0.183812D+01  0.907187D+00 -0.420785D+01  0.282443D+00  0.109669D+01
               186           187           188           189           190 
      1  -0.682817D+00 -0.781309D+01 -0.168661D+00  0.540607D+01  0.278021D+01
      2   0.120282D+01  0.415611D+01  0.187520D+01 -0.467611D+01  0.702709D+00
      3  -0.520002D+00  0.365698D+01 -0.170654D+01 -0.729952D+00 -0.348292D+01
      4  -0.170337D+01  0.411488D+01 -0.371450D+01 -0.274816D+01 -0.139373D+01
      5   0.947950D+00  0.107198D+02 -0.167656D+01 -0.479673D+00 -0.137255D+01
      6   0.751605D+00 -0.316031D+01  0.187029D+01 -0.628827D+00  0.197082D+01
               191           192           193           194           195 
      1  -0.792736D+01 -0.227757D+01 -0.566376D+01 -0.269247D+02 -0.581354D+01
      2   0.918653D+01  0.224999D+01  0.176155D+01  0.470777D+02  0.962693D+01
      3  -0.125918D+01  0.275834D-01  0.390220D+01 -0.201530D+02 -0.381339D+01
      4  -0.552669D+00  0.120065D+01  0.921955D+01 -0.322882D+02 -0.602294D+01
      5  -0.439995D+00 -0.124752D+01 -0.621458D+00 -0.795835D+01 -0.697175D+01
      6   0.724937D+00  0.260179D+01 -0.194871D+00  0.721449D+01  0.897595D+01
               196           197           198 
      1  -0.424252D+01 -0.681463D+01 -0.721534D+01
      2   0.135876D+01  0.117546D+02  0.575740D+01
      3   0.288376D+01 -0.493996D+01  0.145794D+01
      4   0.505727D+01 -0.108356D+02 -0.418150D+01
      5   0.919961D+00 -0.582098D+01 -0.208478D+01
      6   0.174142D+00  0.885336D+01  0.450340D+01
 Leave Link  716 at Fri Jul  9 00:21:06 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146981D+03  0.188083D+01 -0.342454D+01
      2   0.188083D+01  0.128880D+03  0.146512D+01
      3  -0.342454D+01  0.146512D+01  0.817293D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.403310D+00  0.105105D+01  0.245696D+01
      2   0.103927D+02 -0.573254D+01  0.110690D+02
      3   0.642540D+00  0.335226D+02  0.533195D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.771024D+02 -0.150409D+02  0.137501D+02
      2   0.411377D+02  0.146308D+01 -0.139882D+02
      3   0.359647D+02  0.135778D+02  0.238054D+00
      4  -0.279502D+02 -0.347608D+02 -0.106535D+02
      5   0.151354D+02 -0.138192D+02  0.288418D+02
      6  -0.719048D+01 -0.988725D+00 -0.541858D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.352633D+00 -0.129461D+01 -0.773887D+00 -0.583320D+01 -0.302493D+00
      2  -0.129461D+01 -0.306384D+01 -0.716185D+00 -0.302493D+00 -0.244696D+01
      3  -0.773887D+00 -0.716185D+00 -0.168843D+01  0.603557D+00  0.524516D+00
                 6             7             8             9            10 
      1   0.603557D+00 -0.131966D+01 -0.869998D-01 -0.366897D+01 -0.578716D+01
      2   0.524516D+00 -0.869998D-01  0.549012D+00 -0.398361D+01  0.100310D+01
      3  -0.293865D+01 -0.366897D+01 -0.398361D+01 -0.142256D-01 -0.550078D+00
                11            12            13            14            15 
      1   0.100310D+01 -0.550078D+00  0.183660D+01  0.267464D+01  0.330987D+00
      2  -0.284661D+01 -0.986369D-02  0.267464D+01  0.226147D+01 -0.447367D+00
      3  -0.986369D-02 -0.304889D+01  0.330987D+00 -0.447367D+00  0.940739D+00
                16            17            18            19            20 
      1  -0.715664D+00  0.626841D+00 -0.552729D+01  0.112667D+01 -0.313148D+01
      2   0.626841D+00  0.266178D+00  0.773222D+00 -0.313148D+01 -0.389593D+01
      3  -0.552729D+01  0.773222D+00  0.141218D+01 -0.274455D+00  0.526655D+00
                21            22            23            24            25 
      1  -0.274455D+00  0.556878D+01 -0.677131D+00 -0.131991D+00  0.240093D+00
      2   0.526655D+00 -0.677131D+00  0.959303D+00 -0.413624D+00  0.940125D+00
      3  -0.413493D+00 -0.131991D+00 -0.413624D+00  0.256319D+01 -0.243065D+01
                26            27            28            29            30 
      1   0.940125D+00 -0.243065D+01  0.724906D+00  0.264138D+01 -0.286587D+00
      2  -0.480286D+00  0.363252D+01  0.264138D+01  0.726952D+01 -0.830761D-01
      3   0.363252D+01  0.144526D+01 -0.286587D+00 -0.830761D-01  0.175415D+01
                31            32            33            34            35 
      1   0.119034D+02  0.438704D+01 -0.925442D+00  0.161337D+01 -0.239479D+00
      2   0.438704D+01  0.626358D+01 -0.531671D+00 -0.239479D+00 -0.381205D+00
      3  -0.925442D+00 -0.531671D+00  0.140103D+01  0.158890D+01  0.306074D+01
                36            37            38            39            40 
      1   0.158890D+01  0.152684D+02 -0.173999D+01 -0.189861D+01 -0.601566D+01
      2   0.306074D+01 -0.173999D+01  0.383645D+01  0.831512D-01 -0.333328D+01
      3  -0.384094D-02 -0.189861D+01  0.831512D-01  0.217722D+01 -0.113053D+00
                41            42            43            44            45 
      1  -0.333328D+01 -0.113053D+00 -0.137354D+01 -0.500600D+00  0.324288D+01
      2  -0.250368D+00  0.569243D+00 -0.500600D+00  0.422540D+00 -0.890662D+00
      3   0.569243D+00  0.306092D+00  0.324288D+01 -0.890662D+00 -0.128199D+01
                46            47            48            49            50 
      1  -0.167178D+01  0.353664D+01  0.367775D+00 -0.592680D+01  0.730800D+00
      2   0.353664D+01  0.256653D+01 -0.373067D+00  0.730800D+00 -0.237789D+01
      3   0.367775D+00 -0.373067D+00  0.111507D+01  0.211876D+00  0.373326D+00
                51            52            53            54            55 
      1   0.211876D+00  0.464911D-01 -0.491722D+00  0.410497D+00 -0.397879D+01
      2   0.373326D+00 -0.491722D+00  0.534071D-01 -0.412511D+01  0.246463D+01
      3  -0.230726D+01  0.410497D+00 -0.412511D+01 -0.124781D+01  0.103509D+01
                56            57            58            59            60 
      1   0.246463D+01  0.103509D+01  0.303565D+01 -0.345771D+01  0.310168D+00
      2  -0.239563D+01  0.303018D+00 -0.345771D+01 -0.212623D+01 -0.164688D+01
      3   0.303018D+00 -0.210580D+01  0.310168D+00 -0.164688D+01  0.715350D+00
                61            62            63            64            65 
      1   0.307352D+01  0.265274D+00 -0.333633D+01 -0.418328D+01 -0.377878D+01
      2   0.265274D+00 -0.236441D+01  0.329848D+00 -0.377878D+01  0.117001D+01
      3  -0.333633D+01  0.329848D+00  0.841793D+01  0.217343D+01  0.672560D+00
                66            67            68            69            70 
      1   0.217343D+01 -0.383449D+01  0.865079D+00  0.871752D+00  0.362911D+01
      2   0.672560D+00  0.865079D+00  0.272191D+01  0.141877D+01  0.165522D+01
      3  -0.142701D+01  0.871752D+00  0.141877D+01  0.457889D+00 -0.249124D+01
                71            72            73            74            75 
      1   0.165522D+01 -0.249124D+01 -0.218181D+01  0.101444D+01 -0.182600D+00
      2   0.174713D+01  0.118930D+00  0.101444D+01 -0.216988D+01  0.915731D+00
      3   0.118930D+00 -0.605590D+01 -0.182600D+00  0.915731D+00 -0.131685D+00
                76            77            78            79            80 
      1   0.356212D+00 -0.386539D+01  0.968734D+00  0.569941D+00  0.181067D+01
      2  -0.386539D+01 -0.775985D+01 -0.515935D+00  0.181067D+01 -0.459564D-01
      3   0.968734D+00 -0.515935D+00 -0.351168D+01 -0.144529D+01 -0.591296D+01
                81            82            83            84            85 
      1  -0.144529D+01 -0.551791D+01 -0.417028D+01  0.203679D+00 -0.403305D+01
      2  -0.591296D+01 -0.417028D+01 -0.363383D+01  0.188854D+00 -0.471451D+01
      3   0.341012D+01  0.203679D+00  0.188854D+00 -0.505837D+00 -0.504483D-01
                86            87            88            89            90 
      1  -0.471451D+01 -0.504483D-01  0.367001D+00  0.165688D+00  0.128714D+00
      2  -0.656634D+01 -0.712507D-02  0.165688D+00 -0.397613D-01  0.126936D+00
      3  -0.712507D-02 -0.598305D+00  0.128714D+00  0.126936D+00 -0.387894D-02
                91            92            93            94            95 
      1  -0.130971D+02  0.134923D+01  0.140822D+01  0.149740D+01 -0.175135D+01
      2   0.134923D+01 -0.822765D+00 -0.153608D+00 -0.175135D+01  0.522902D+00
      3   0.140822D+01 -0.153608D+00 -0.936634D+00 -0.296700D+00  0.202311D+00
                96            97            98            99           100 
      1  -0.296700D+00  0.175093D+01 -0.330094D+00  0.840786D-02 -0.215909D+01
      2   0.202311D+00 -0.330094D+00  0.177051D+00  0.237443D-01  0.240151D+01
      3   0.166463D+00  0.840786D-02  0.237443D-01  0.992329D-01  0.353744D+00
               101           102           103           104           105 
      1   0.240151D+01  0.353744D+00  0.232416D+01 -0.370316D+01 -0.392025D+00
      2  -0.267212D+01 -0.396406D+00 -0.370316D+01  0.909028D+01  0.957740D+00
      3  -0.396406D+00 -0.409659D+00 -0.392025D+00  0.957740D+00  0.858794D+00
               106           107           108           109           110 
      1   0.370665D+00 -0.560481D+00 -0.851604D-01  0.122272D+01 -0.170368D+01
      2  -0.560481D+00  0.119098D+01  0.126074D+00 -0.170368D+01  0.196793D+01
      3  -0.851604D-01  0.126074D+00  0.593015D-01 -0.149701D+00  0.323718D+00
               111           112           113           114           115 
      1  -0.149701D+00 -0.127337D+01  0.173443D+01  0.148638D+00 -0.216337D+00
      2   0.323718D+00  0.173443D+01 -0.924636D+01 -0.961005D+00  0.272060D+00
      3   0.155374D+00  0.148638D+00 -0.961005D+00 -0.817989D+00 -0.436352D-01
               116           117           118           119           120 
      1   0.272060D+00 -0.436352D-01  0.270104D+01 -0.612952D+00 -0.197052D+01
      2  -0.959071D+00 -0.380982D-01 -0.612952D+00  0.703348D+00  0.106116D+00
      3  -0.380982D-01 -0.120052D+00 -0.197052D+01  0.106116D+00  0.181705D+01
               121           122           123           124           125 
      1  -0.102251D+01  0.155705D+01  0.100097D+00 -0.554669D+01  0.543502D+00
      2   0.155705D+01 -0.379748D+00 -0.915275D+00  0.543502D+00 -0.120157D+01
      3   0.100097D+00 -0.915275D+00 -0.347366D+00  0.381468D+01 -0.668442D+00
               126           127           128           129           130 
      1   0.381468D+01 -0.745425D+01 -0.852803D+00  0.144398D+01 -0.397624D+01
      2  -0.668442D+00 -0.852803D+00  0.308941D+01 -0.399854D+00  0.320776D+01
      3  -0.911004D+01  0.144398D+01 -0.399854D+00  0.171578D+01 -0.513660D+00
               131           132           133           134           135 
      1   0.320776D+01 -0.513660D+00  0.219223D+01 -0.116634D+01  0.107427D+01
      2   0.264242D+01  0.278686D+01 -0.116634D+01  0.325919D+01  0.732478D+00
      3   0.278686D+01  0.162777D-01  0.107427D+01  0.732478D+00 -0.632473D+01
               136           137           138           139           140 
      1   0.920307D+01  0.329176D+01 -0.177274D+01  0.288803D+01  0.212446D+01
      2   0.329176D+01  0.198180D+01 -0.628377D+00  0.212446D+01  0.165377D+01
      3  -0.177274D+01 -0.628377D+00  0.133284D+01 -0.602389D+00 -0.756456D+00
               141           142           143           144           145 
      1  -0.602389D+00 -0.399760D+01 -0.139532D+01  0.208768D+01  0.158633D+01
      2  -0.756456D+00 -0.139532D+01 -0.136233D+01  0.821732D+00  0.545408D+00
      3   0.484093D+00  0.208768D+01  0.821732D+00 -0.752010D+00  0.128204D+01
               146           147           148           149           150 
      1   0.545408D+00  0.128204D+01  0.133676D+00  0.432481D+00 -0.203041D+00
      2   0.122207D-01  0.145521D+00  0.432481D+00 -0.175817D+00  0.648526D+00
      3   0.145521D+00  0.916498D+00 -0.203041D+00  0.648526D+00 -0.439982D+00
               151           152           153           154           155 
      1   0.228618D+01  0.726212D-01  0.293249D+01  0.108203D+01  0.800655D+00
      2   0.726212D-01  0.144191D+01  0.640428D+00  0.800655D+00  0.273744D+00
      3   0.293249D+01  0.640428D+00  0.720222D+01 -0.943755D+00 -0.370938D+00
               156           157           158           159           160 
      1  -0.943755D+00  0.909019D+00  0.174380D+01 -0.629810D+00 -0.286131D+01
      2  -0.370938D+00  0.174380D+01  0.541422D+01 -0.257578D+01 -0.210780D+01
      3   0.374256D+00 -0.629810D+00 -0.257578D+01  0.229911D+01  0.144725D+01
               161           162           163           164           165 
      1  -0.210780D+01  0.144725D+01 -0.249566D+00  0.641758D+00  0.691950D+00
      2  -0.527500D+01  0.483477D+01  0.641758D+00 -0.798180D+00 -0.182622D+00
      3   0.483477D+01 -0.611672D+01  0.691950D+00 -0.182622D+00 -0.165345D+00
               166           167           168           169           170 
      1   0.137521D+01  0.130617D+01  0.194173D+00  0.103546D+01  0.313449D+00
      2   0.130617D+01  0.874218D+01  0.263449D+01  0.313449D+00  0.472203D+01
      3   0.194173D+00  0.263449D+01  0.203051D+01  0.541873D+00  0.340573D+01
               171           172           173           174           175 
      1   0.541873D+00  0.173786D+00  0.886907D-01  0.580450D+00  0.653940D+00
      2   0.340573D+01  0.886907D-01 -0.715854D+00  0.239187D+00 -0.258396D+00
      3   0.194465D+01  0.580450D+00  0.239187D+00 -0.117307D+01  0.122600D+00
               176           177           178           179           180 
      1  -0.258396D+00  0.122600D+00  0.160880D+01 -0.570772D+00  0.672108D+00
      2  -0.516067D+00  0.547514D+00 -0.570772D+00  0.156515D+01 -0.136624D+01
      3   0.547514D+00  0.772718D-02  0.672108D+00 -0.136624D+01  0.747008D+01
               181           182           183           184           185 
      1   0.126317D+02 -0.195178D+01 -0.282591D+00  0.817638D+00  0.791519D+00
      2  -0.195178D+01  0.146252D+01 -0.846105D-01  0.791519D+00 -0.386455D+00
      3  -0.282591D+00 -0.846105D-01  0.110186D+01  0.885312D-01 -0.342318D+00
               186           187           188           189           190 
      1   0.885312D-01 -0.160308D+01  0.342660D+00  0.114319D+01  0.207467D+00
      2  -0.342318D+00  0.342660D+00 -0.735573D+00 -0.257001D+00 -0.542869D+00
      3   0.150764D+00  0.114319D+01 -0.257001D+00  0.105352D+00 -0.454846D+00
               191           192           193           194           195 
      1  -0.542869D+00 -0.454846D+00 -0.138444D+01  0.508190D+00 -0.925542D-01
      2  -0.131884D+01 -0.105905D+00  0.508190D+00 -0.803994D+01 -0.154986D+01
      3  -0.105905D+00 -0.454226D+00 -0.925542D-01 -0.154986D+01 -0.143678D+01
               196           197           198 
      1  -0.114991D+01  0.441488D+00 -0.643649D-01
      2   0.441488D+00 -0.254942D+01 -0.138504D+01
      3  -0.643649D-01 -0.138504D+01 -0.535127D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.145532D+01 -0.188215D+00 -0.462597D+01  0.116583D+01  0.612166D-01
      2   0.809506D+00  0.114676D+01  0.311771D+01 -0.386630D+00 -0.737660D+00
      3  -0.721843D+01 -0.120503D+02 -0.239262D+00  0.807422D+01 -0.347128D+01
                 6             7             8             9            10 
      1  -0.189730D+01 -0.838187D+01  0.320611D+01  0.131776D+01  0.560266D+00
      2   0.784988D+01 -0.222991D+01  0.121189D+02  0.139600D+01  0.287875D+00
      3   0.240091D+00  0.137149D+01  0.211061D+01 -0.573776D+01  0.456403D+01
                11            12            13            14            15 
      1   0.522946D+00  0.835177D+00  0.123518D+01 -0.128373D+01  0.305392D+01
      2  -0.335935D+00  0.941698D+01 -0.216891D+01 -0.162610D+00 -0.190376D+01
      3  -0.897855D+01 -0.680951D-01  0.119878D+02  0.422950D+01 -0.178723D+01
                16            17            18            19            20 
      1   0.231826D+01  0.120964D+02  0.106595D+01  0.110548D+01 -0.842509D+00
      2   0.912076D+01 -0.345765D+01 -0.312494D+01  0.631378D+00  0.266108D-01
      3   0.103504D+01 -0.323908D+00  0.246911D+01 -0.315987D+01 -0.163117D+02
                21            22            23            24            25 
      1  -0.329491D+00 -0.113483D+01  0.491266D+00 -0.316868D+01  0.419275D+01
      2  -0.105973D+01  0.104834D+01  0.159984D+01 -0.691906D+01 -0.921504D+01
      3  -0.778901D+00 -0.414709D+00  0.140908D+01 -0.302061D+00  0.694629D+00
                26            27            28            29            30 
      1   0.232635D+01 -0.214297D+00 -0.175681D+01  0.185603D+01 -0.122331D+01
      2  -0.103600D+02 -0.978773D+00 -0.331140D+01 -0.147562D+01 -0.106803D+01
      3   0.109753D+01  0.563932D+01 -0.421768D+01  0.568480D+01  0.183256D+01
                31            32            33            34            35 
      1   0.187630D+01  0.565512D+00 -0.105019D+01 -0.262715D+01  0.637109D+01
      2   0.189057D+01 -0.188038D+01 -0.135857D+01 -0.151400D+02 -0.121720D+01
      3   0.975685D+01  0.212738D+02 -0.129279D+01  0.320414D+01 -0.164824D+01
                36            37            38            39            40 
      1   0.444668D+00  0.650912D+00  0.174865D+01  0.154198D+01  0.222670D+01
      2   0.147437D+01 -0.172305D+01 -0.120175D+01 -0.435804D+00 -0.101761D+01
      3   0.348486D+01 -0.847140D+01  0.115270D+02  0.149140D+01  0.994906D+01
                41            42            43            44            45 
      1  -0.226910D+00 -0.425517D+00  0.362645D+01  0.104581D+02 -0.223161D+00
      2   0.333149D+00  0.630041D+00 -0.128063D+02  0.326459D+00  0.145204D+01
      3  -0.625798D+01 -0.139928D+01 -0.740494D+00 -0.563055D+01 -0.251128D+01
                46            47            48            49            50 
      1   0.692798D+00 -0.629626D+00  0.432657D+01 -0.482730D+00 -0.905362D+00
      2  -0.292386D+01  0.204081D+01 -0.261947D+01 -0.125577D+00  0.787937D+00
      3   0.105071D+02 -0.377355D+01 -0.261636D+01  0.768911D+01 -0.756648D+01
                51            52            53            54            55 
      1  -0.360320D+01  0.439847D+01  0.654857D+00 -0.171792D+01 -0.133547D+01
      2   0.206803D+01 -0.143998D+02  0.186904D+01  0.201754D+01 -0.141227D+00
      3  -0.468024D-01 -0.426774D+01  0.105333D+01 -0.536916D+01 -0.259987D+01
                56            57            58            59            60 
      1   0.196673D+01 -0.134645D+01  0.287075D+01 -0.106097D+01 -0.115030D+01
      2   0.111910D+01 -0.116684D+01  0.145097D+01 -0.582069D+01  0.102941D+01
      3  -0.265233D+01 -0.119099D+01  0.119985D+02  0.767903D+01  0.448248D+01
                61            62            63            64            65 
      1  -0.322396D+01  0.631886D+01  0.307120D+01 -0.334352D+01 -0.114907D+01
      2  -0.104671D+02  0.743230D+00  0.128236D+02  0.706574D+01  0.335011D+01
      3  -0.343937D+01  0.740080D+01  0.196112D+01  0.858727D+01 -0.126533D+02
                66            67            68            69            70 
      1   0.179876D+01 -0.172157D+01 -0.345166D+01 -0.234759D+01  0.381643D+01
      2  -0.196655D+01  0.398775D+01  0.346382D+01  0.548771D+00 -0.114983D+02
      3   0.163593D+01 -0.859663D+01 -0.551374D+01 -0.350859D+01  0.855478D+00
                71            72            73            74            75 
      1   0.192061D+01  0.572692D+01  0.687342D+00 -0.264383D+01 -0.169800D+00
      2  -0.127560D+01 -0.123490D+02 -0.122115D+01  0.101760D+01  0.169680D+01
      3  -0.435112D+01 -0.317434D+01 -0.751728D+01  0.145704D+01 -0.158905D+01
                76            77            78            79            80 
      1  -0.790781D+00  0.481371D+01  0.686433D+01  0.547108D+01  0.212394D+02
      2   0.339236D+00  0.237317D+00 -0.233889D+01 -0.537707D+01 -0.536012D+01
      3   0.136084D+02 -0.584903D+01  0.382147D+01 -0.954663D+00  0.751709D+01
                81            82            83            84            85 
      1  -0.635799D+01  0.358817D+00  0.396818D+00 -0.237973D+01 -0.145890D+00
      2   0.268676D+01 -0.716390D+00 -0.741499D+00  0.304245D+01 -0.220731D-02
      3   0.141736D+01 -0.121341D+01 -0.476949D+01  0.294280D+00 -0.338427D+01
                86            87            88            89            90 
      1  -0.474316D-01 -0.324668D+01  0.123546D+01  0.171542D+01  0.274604D-01
      2  -0.167139D+00  0.301762D+01 -0.143738D+01 -0.128266D+01 -0.812822D-01
      3  -0.106948D+02  0.961849D-01 -0.374274D+00 -0.775262D+00  0.375546D+00
                91            92            93            94            95 
      1   0.460388D-01 -0.450623D+00  0.643031D+00 -0.219752D+00  0.138852D+00
      2  -0.202263D+01  0.245903D+00  0.619733D+01  0.732083D+00 -0.437342D+00
      3   0.223363D+01 -0.550474D+01 -0.308827D+00 -0.421474D+01  0.186384D+01
                96            97            98            99           100 
      1  -0.504102D+00 -0.501238D+00  0.416402D+00 -0.775869D-01 -0.935722D-01
      2  -0.943055D+00 -0.284512D+01  0.487408D+00 -0.512333D+00 -0.411711D+00
      3   0.589272D+00 -0.531768D+00  0.676240D+00 -0.178330D+00  0.937725D+00
               101           102           103           104           105 
      1   0.181282D+00  0.156785D+01  0.572498D-01  0.413933D+00 -0.432919D+01
      2   0.602587D+00  0.143525D+01  0.363876D+00 -0.174767D+01 -0.261890D+01
      3  -0.282887D+01 -0.372316D+00 -0.825331D+00  0.147674D+02  0.151158D+01
               106           107           108           109           110 
      1  -0.438844D+00  0.180916D+01 -0.426799D+00  0.195113D+00  0.130695D-01
      2  -0.103093D+01  0.634724D+00 -0.187788D+00  0.623290D+00 -0.696682D+00
      3  -0.250040D+00  0.141119D+01 -0.271095D+00 -0.647612D+01  0.553158D+01
               111           112           113           114           115 
      1   0.119659D+01 -0.261065D+00  0.635645D+00 -0.425723D+01 -0.501734D+00
      2   0.292892D+00 -0.880621D+00  0.959198D+00 -0.335470D+00 -0.112450D+01
      3   0.543435D+00  0.820002D+01 -0.118572D+02 -0.120131D+01  0.100181D+01
               116           117           118           119           120 
      1   0.208417D+01 -0.238600D+00 -0.720476D+00 -0.145745D+01  0.834988D+00
      2   0.232729D+00 -0.204221D+00 -0.124198D+01 -0.206216D-01  0.357947D+01
      3  -0.185775D+01  0.127471D+00 -0.853903D+00 -0.356272D+01  0.113334D+01
               121           122           123           124           125 
      1  -0.127101D+01 -0.511634D+00 -0.101941D+01  0.877775D+00  0.273802D+01
      2   0.272415D+00 -0.221786D-01 -0.957011D+00  0.167274D+01 -0.509640D+00
      3  -0.231205D+01 -0.854082D+00  0.193678D+01  0.182881D+01  0.242670D+01
               126           127           128           129           130 
      1  -0.343952D+01  0.268655D+01 -0.717938D-01  0.311884D+01 -0.224008D+01
      2  -0.144318D+02  0.800744D+01 -0.216194D+01  0.596568D+01 -0.269025D+01
      3  -0.236163D+00  0.201313D+02 -0.122037D+02 -0.150239D+01 -0.208514D+01
               131           132           133           134           135 
      1   0.899210D+01 -0.133326D+00  0.200018D+00  0.437529D+01 -0.103004D+02
      2   0.700782D+01  0.390857D+00 -0.248118D+00  0.280467D+01 -0.162205D+02
      3  -0.167176D+02 -0.784232D+01 -0.888244D+00 -0.764144D+01 -0.443989D+01
               136           137           138           139           140 
      1   0.232091D+01  0.495771D+00 -0.255644D+01  0.696175D+00  0.724566D+00
      2  -0.465206D+01 -0.180221D+01  0.602179D+01 -0.170349D+01 -0.183608D+01
      3   0.475487D+01 -0.416978D+01 -0.968628D+00  0.667847D+00 -0.218836D+01
               141           142           143           144           145 
      1  -0.152669D+01 -0.258088D+01  0.151115D+00  0.118852D+01 -0.109701D+01
      2   0.194905D+01  0.388412D+01  0.179441D+01 -0.264134D+01  0.167293D+01
      3   0.126932D+01 -0.220966D+01  0.310518D+01  0.796992D+00 -0.177833D+00
               146           147           148           149           150 
      1   0.212047D+00 -0.135688D+01  0.287012D+00 -0.129510D+01 -0.331636D+00
      2  -0.257714D+00  0.305644D+01 -0.765136D+00  0.104188D+01 -0.855221D+00
      3  -0.198683D+00  0.134442D+01  0.175799D+01  0.227046D+01 -0.152475D+01
               151           152           153           154           155 
      1  -0.351838D+01  0.269169D+01 -0.841914D+01  0.190779D+01  0.320778D+00
      2   0.283710D+01  0.148136D+01  0.160310D+02  0.435577D+00 -0.249791D+00
      3   0.360186D+01 -0.535878D+01  0.199670D+01  0.397703D+01  0.156978D+00
               156           157           158           159           160 
      1  -0.886307D+00  0.138755D+01  0.351891D+01 -0.666073D+01 -0.323632D+01
      2   0.128283D+01  0.101685D+00 -0.185944D+01  0.203920D+01 -0.616771D+00
      3  -0.209094D+01  0.173035D+01 -0.703599D+00  0.663805D+00 -0.631664D+01
               161           162           163           164           165 
      1  -0.834410D+01  0.137844D+02 -0.107298D+01  0.590173D+00  0.476968D+00
      2   0.376237D+01 -0.496830D+01  0.230245D+00 -0.339083D+00  0.720571D+00
      3  -0.222295D+00 -0.954317D+00 -0.943126D+00 -0.351217D+00  0.169042D+01
               166           167           168           169           170 
      1  -0.149962D+01 -0.735473D+01 -0.753840D+01 -0.154488D+01 -0.747356D+01
      2  -0.447336D+00  0.220967D+01  0.164217D+01 -0.681363D+00  0.234721D+01
      3   0.482037D+01 -0.478543D+01 -0.224300D+01  0.438300D+01 -0.401040D+01
               171           172           173           174           175 
      1  -0.628812D+01  0.843170D+00 -0.555589D+00 -0.182278D+01 -0.938261D-01
      2   0.133693D+01  0.214334D+01  0.493610D+00 -0.240477D+01  0.203078D+00
      3  -0.214619D+01 -0.234481D+00  0.148224D+01 -0.157621D+01  0.121543D+01
               176           177           178           179           180 
      1   0.978535D+00 -0.116756D+01  0.386886D+00  0.145743D+01  0.132944D+02
      2   0.126626D+01 -0.293672D+00 -0.249844D+01 -0.301400D+01  0.190302D+02
      3   0.155131D+01 -0.133798D+01 -0.175009D+01 -0.364260D+01  0.353523D+01
               181           182           183           184           185 
      1  -0.194421D+00  0.185061D+00  0.210622D+01  0.255958D+00 -0.654771D+00
      2  -0.399061D+01 -0.475325D-01  0.635425D+01  0.231205D+00 -0.972669D+00
      3  -0.173421D+02 -0.485475D+01  0.982525D+00 -0.167312D+01 -0.179266D+00
               186           187           188           189           190 
      1  -0.469722D+00  0.136546D+01  0.346650D+00  0.231606D+00 -0.985614D+00
      2   0.521711D+00  0.194439D+01 -0.375953D+00  0.212280D+00 -0.126402D+01
      3   0.109181D+01  0.151310D+01  0.184449D+01 -0.900373D+00  0.379222D+01
               191           192           193           194           195 
      1  -0.500646D+00 -0.174981D+01 -0.484775D+00 -0.527447D+01 -0.595705D+01
      2   0.198082D-01 -0.592991D+00 -0.433435D+00 -0.326304D+01 -0.316312D+01
      3   0.457409D+01  0.162093D+01  0.554669D+01  0.225341D+02  0.507176D+01
               196           197           198 
      1  -0.393390D+00 -0.210933D+01 -0.171658D+01
      2  -0.133962D+01 -0.268939D+01 -0.104903D+01
      3   0.223362D+01  0.681919D+01  0.411518D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401987D+00 -0.246991D+02 -0.150811D+01  0.301040D+02  0.703932D+01
      2  -0.329849D+01  0.180545D+02 -0.770806D+00 -0.305066D+02 -0.123422D+02
      3   0.370048D+01  0.664460D+01  0.227892D+01  0.402590D+00  0.530283D+01
      4  -0.197691D+02  0.829330D+01  0.556643D+01  0.849939D+01 -0.129778D+02
      5   0.199697D+01  0.611931D+01  0.761996D+01 -0.299012D+00 -0.315837D+01
      6   0.526146D+01  0.230750D+01  0.103169D+02 -0.346578D+01  0.334445D+00
                 6             7             8             9            10 
      1   0.714321D+00  0.682419D+01  0.657846D+01  0.195248D+01 -0.638685D+01
      2   0.947269D+00 -0.501285D+01 -0.565744D+01 -0.845638D+01  0.211142D+01
      3  -0.166159D+01 -0.181135D+01 -0.921021D+00  0.650390D+01  0.427543D+01
      4  -0.415951D+01  0.465143D+01 -0.258492D+01  0.170997D+02  0.365523D+01
      5   0.169178D+02  0.244276D+02  0.189793D+02  0.246694D+01  0.991204D+01
      6   0.567428D+01  0.107979D+02  0.163981D+02 -0.214969D+01 -0.860649D+00
                11            12            13            14            15 
      1   0.205933D+01  0.702454D+01 -0.143233D+02 -0.250883D+02 -0.244114D+01
      2  -0.529802D-01 -0.354478D+01  0.125594D+02  0.256921D+02  0.375594D+01
      3  -0.200635D+01 -0.347976D+01  0.176393D+01 -0.603719D+00 -0.131481D+01
      4   0.245621D+02 -0.913815D+00 -0.298200D+02  0.854860D+01  0.361101D+01
      5  -0.152068D+01  0.203810D+02 -0.573401D+01  0.273132D+01 -0.426662D+01
      6  -0.103489D+01 -0.205476D+01  0.315853D+01 -0.759640D+00 -0.714918D+01
                16            17            18            19            20 
      1   0.105274D+02 -0.395095D+01  0.153592D+02  0.131589D+02  0.217666D+02
      2  -0.357155D+01  0.259577D+01 -0.212376D+02 -0.119715D+02 -0.156015D+02
      3  -0.695583D+01  0.135518D+01  0.587844D+01 -0.118739D+01 -0.616510D+01
      4  -0.647125D+01 -0.944481D+00 -0.231012D+01  0.122727D+02 -0.123962D+02
      5   0.379520D+02 -0.416068D+01 -0.658793D+01  0.132169D+01 -0.416077D+01
      6  -0.283934D+00  0.521860D+01 -0.160416D+01 -0.253107D+01  0.498454D+01
                21            22            23            24            25 
      1  -0.709239D+00 -0.225351D+02  0.128348D+02  0.108298D+01  0.788974D-02
      2   0.201798D+00  0.216609D+02 -0.212859D+02 -0.418268D+01  0.202845D+01
      3   0.507441D+00  0.874248D+00  0.845107D+01  0.309970D+01 -0.203634D+01
      4  -0.374367D+01  0.109271D+02  0.162038D+01  0.212669D+01 -0.431393D+01
      5  -0.334347D+01 -0.608108D+00  0.269665D+01 -0.136859D+02  0.121011D+02
      6  -0.541608D+00  0.163863D+01 -0.496058D+01  0.774210D+01 -0.763580D+01
                26            27            28            29            30 
      1  -0.213552D+01 -0.418106D+01 -0.882821D+01 -0.268685D+02 -0.972584D+00
      2  -0.275564D+01 -0.602234D+01  0.759634D+01  0.199983D+02 -0.147124D+01
      3   0.489116D+01  0.102034D+02  0.123187D+01  0.687023D+01  0.244383D+01
      4   0.628353D+01 -0.166224D+02 -0.961382D+01 -0.905177D+01 -0.365356D+00
      5  -0.161188D+02 -0.208161D+01 -0.153066D+01  0.123211D+00 -0.124384D+01
      6   0.136411D+02  0.233129D+01 -0.195031D+00 -0.338511D+01  0.283693D+01
                31            32            33            34            35 
      1  -0.119677D+02 -0.884054D+01 -0.758780D+00  0.169888D+01  0.742425D+00
      2   0.977167D+00  0.829817D+01  0.274197D+00 -0.245604D+01 -0.769783D+00
      3   0.109905D+02  0.542365D+00  0.484583D+00  0.757163D+00  0.273582D-01
      4   0.686915D+01 -0.875946D+01 -0.207355D+01 -0.791427D+00  0.203514D+01
      5  -0.276641D+01 -0.211054D+01 -0.884790D+00  0.136259D+01 -0.323243D+01
      6  -0.738219D+01 -0.170181D+01  0.288927D+01  0.241971D+01  0.106082D+02
                36            37            38            39            40 
      1  -0.127476D+02 -0.242217D+02  0.513723D+01 -0.689427D+00 -0.297907D+01
      2   0.266400D+01  0.855258D+01 -0.115382D+01  0.297078D+00  0.553131D+01
      3   0.100836D+02  0.156691D+02 -0.398341D+01  0.392349D+00 -0.255224D+01
      4  -0.178119D+01 -0.605838D+01  0.714531D+01  0.757475D+00 -0.992138D+01
      5   0.194331D+01 -0.738797D+01 -0.248159D+00  0.120156D+01  0.552308D+00
      6  -0.123608D+01  0.555550D+00 -0.189816D+01 -0.212084D+01  0.544934D+01
                41            42            43            44            45 
      1  -0.279305D+01  0.101520D+01  0.422327D+01 -0.211387D+01 -0.841447D+01
      2   0.111131D+02  0.128291D+01 -0.752873D+00  0.212417D+01 -0.314390D+01
      3  -0.832004D+01 -0.229811D+01 -0.347040D+01 -0.102945D-01  0.115584D+02
      4   0.685125D+01  0.341786D+01 -0.177081D+01  0.414655D+01 -0.152907D+01
      5   0.240487D+01  0.192085D+00  0.366973D+01  0.104740D+01  0.576690D+00
      6   0.912600D+00 -0.576242D+00 -0.145299D+01  0.445328D+01  0.899578D+00
                46            47            48            49            50 
      1   0.793905D+01  0.116531D+02 -0.111834D+01  0.387569D+01  0.631270D+01
      2  -0.535230D+01 -0.113117D+02  0.167384D+01  0.485763D+01 -0.139548D+02
      3  -0.258675D+01 -0.341366D+00 -0.555506D+00 -0.873333D+01  0.764205D+01
      4   0.104075D+02 -0.212395D+02 -0.221999D+01  0.160291D+02  0.128474D+02
      5   0.142626D+00 -0.234403D+01 -0.622319D+01  0.164591D+01  0.704067D+00
      6  -0.395331D+01  0.288236D+01 -0.858321D+01  0.352372D+00 -0.471641D+01
                51            52            53            54            55 
      1   0.205851D+01 -0.850936D+00  0.628100D-01 -0.170364D+02  0.171190D+02
      2  -0.360547D+01  0.200726D+01 -0.365624D+01  0.438401D+01 -0.500817D+01
      3   0.154697D+01 -0.115633D+01  0.359343D+01  0.126523D+02 -0.121108D+02
      4   0.243223D+00  0.258015D+01  0.435517D+01  0.712963D+01  0.111785D+02
      5   0.219478D+01  0.123606D+01  0.742184D+01  0.499834D+01  0.451128D+01
      6   0.806252D+01 -0.239721D+01  0.179649D+02  0.492926D+01  0.816702D-02
                56            57            58            59            60 
      1   0.100022D+01 -0.931028D+00  0.515916D+01 -0.819899D+01  0.142954D+01
      2   0.235699D+01 -0.383601D+01 -0.476018D+00  0.239639D-01  0.954692D+00
      3  -0.335720D+01  0.476703D+01 -0.468314D+01  0.817502D+01 -0.238423D+01
      4  -0.120141D+02  0.786554D+00 -0.229148D+02 -0.607690D+01 -0.834479D+01
      5   0.165090D+01 -0.100975D+02  0.233762D+01 -0.827580D+01  0.377269D+01
      6  -0.383733D+01  0.342059D+01 -0.605565D+01  0.316568D+01 -0.266159D+01
                61            62            63            64            65 
      1  -0.114580D+02  0.223610D+01  0.376524D+01 -0.161654D+02 -0.186923D+02
      2  -0.109778D+02  0.345513D+01  0.113344D+02  0.192697D+01  0.104967D+02
      3   0.224358D+02 -0.569123D+01 -0.150996D+02  0.142384D+02  0.819563D+01
      4   0.133906D+01 -0.134666D+02  0.502013D+01 -0.222311D+02 -0.662121D+01
      5  -0.162554D+02  0.313486D+01  0.349627D+02  0.146197D+02  0.517873D+01
      6   0.590433D+01 -0.264917D+00 -0.798004D+01  0.632235D+01  0.303750D+01
                66            67            68            69            70 
      1   0.922379D+01 -0.205719D+02  0.126051D+01  0.156266D+01  0.154038D+02
      2  -0.169379D+01  0.115176D+02  0.174636D+01  0.982853D+00 -0.138779D-01
      3  -0.753000D+01  0.905429D+01 -0.300687D+01 -0.254552D+01 -0.153899D+02
      4   0.645527D+01 -0.300443D+01  0.134646D+02  0.716531D+01  0.135220D+02
      5  -0.767579D+01  0.628270D+01  0.610475D+01  0.139647D+01 -0.139870D+02
      6  -0.323724D+01  0.445206D+01  0.603703D+01  0.173540D+01 -0.666696D+01
                71            72            73            74            75 
      1   0.695869D+01 -0.864371D+01 -0.673051D+01  0.109627D+02 -0.413046D+01
      2  -0.176991D+01  0.159823D+02  0.101085D+02 -0.651798D+01  0.454096D+01
      3  -0.518878D+01 -0.733863D+01 -0.337803D+01 -0.444476D+01 -0.410499D+00
      4   0.970410D+01 -0.669772D+01  0.448150D+01  0.546723D+01 -0.501015D-01
      5  -0.257240D+01 -0.270867D+02 -0.154313D+01  0.955882D+00 -0.133012D+01
      6   0.338501D+01 -0.988704D+01  0.906852D+00  0.601944D+01 -0.489105D+00
                76            77            78            79            80 
      1   0.239847D+02  0.284508D+02  0.468693D+00 -0.972132D+01 -0.165154D+01
      2  -0.183236D+02 -0.302829D+02 -0.807034D+01  0.643203D+01 -0.895678D+01
      3  -0.566101D+01  0.183213D+01  0.760165D+01  0.328929D+01  0.106083D+02
      4   0.224016D+01 -0.593550D+01  0.134129D+00  0.229395D+00  0.245093D+01
      5   0.249254D+01  0.874616D+00 -0.631904D+01 -0.173260D+01 -0.963476D+01
      6   0.496751D+01 -0.575236D+01 -0.206409D+02 -0.108827D+02 -0.387728D+02
                81            82            83            84            85 
      1   0.269750D+02  0.248223D+02  0.151644D+02 -0.313011D+00  0.104277D+02
      2  -0.258219D+02 -0.442378D+01  0.128261D+01  0.119610D+00  0.733415D+01
      3  -0.115310D+01 -0.203986D+02 -0.164470D+02  0.193401D+00 -0.177618D+02
      4  -0.737682D+01  0.370398D+02  0.331388D+02 -0.118005D+01  0.372947D+02
      5   0.747013D+01 -0.571954D+00 -0.756513D+00  0.552302D+01  0.760467D+00
      6   0.162528D+02 -0.123059D+01 -0.126988D+01  0.306669D+01 -0.198202D+00
                86            87            88            89            90 
      1   0.468867D+01  0.132344D+00 -0.195735D+01 -0.149367D+01 -0.848023D-01
      2   0.172640D+02 -0.343476D+00  0.109903D+01  0.113426D+01  0.102595D+01
      3  -0.219527D+02  0.211132D+00  0.858325D+00  0.359410D+00 -0.941152D+00
      4   0.458405D+02  0.515802D-01 -0.161249D+01 -0.506276D+00  0.129453D+01
      5   0.874622D+00  0.434201D+01  0.624591D+00 -0.482069D-01 -0.450079D+00
      6  -0.527632D+00  0.524701D+01  0.459578D+00  0.955841D+00 -0.170333D-01
                91            92            93            94            95 
      1   0.983279D+02 -0.963920D+01 -0.885732D+01 -0.980606D+01  0.986279D+01
      2  -0.572670D+02  0.520820D+01  0.620118D+01  0.485113D+01 -0.481916D+01
      3  -0.410609D+02  0.443099D+01  0.265615D+01  0.495493D+01 -0.504362D+01
      4  -0.138514D+02  0.964300D+01  0.132070D+01  0.163196D+02 -0.469693D+01
      5  -0.129874D+02  0.135209D+01  0.106215D+02  0.249500D+01 -0.165726D+01
      6   0.219303D+00 -0.685309D+00 -0.685150D+00 -0.116799D+01  0.282642D+00
                96            97            98            99           100 
      1   0.143490D+01 -0.123900D+02  0.165274D+01  0.248108D+01  0.567676D+01
      2  -0.108946D+01  0.744116D+01 -0.858959D+00 -0.134168D+01  0.218053D+01
      3  -0.345436D+00  0.494881D+01 -0.793779D+00 -0.113941D+01 -0.785729D+01
      4  -0.169293D+01  0.292173D+01 -0.136632D+01 -0.774565D+00 -0.173896D+02
      5  -0.134644D+01  0.224109D+01 -0.110643D-01 -0.198726D+01 -0.203380D+01
      6   0.197576D+01 -0.205871D+00  0.767441D+00  0.437234D+00  0.177249D+01
               101           102           103           104           105 
      1  -0.424122D+01 -0.527809D+00 -0.152403D-01 -0.141503D+02 -0.152405D+01
      2  -0.425025D+01 -0.205998D-03 -0.100877D+02  0.345179D+02  0.238319D+01
      3   0.849147D+01  0.528015D+00  0.101030D+02 -0.203675D+02 -0.859141D+00
      4   0.211895D+02  0.267551D+01  0.247758D+02 -0.463550D+02 -0.466107D+01
      5   0.232147D+01  0.353110D+01  0.234242D+01 -0.361039D+01 -0.429252D+01
      6  -0.216057D+01 -0.231822D+01 -0.255990D+01  0.633738D+01  0.722637D+01
               106           107           108           109           110 
      1  -0.719119D+00 -0.105315D+01 -0.150705D+01 -0.453554D+01  0.781711D+01
      2  -0.747424D+00  0.330224D+01  0.244357D+01  0.661123D+01 -0.987303D+01
      3   0.146654D+01 -0.224909D+01 -0.936518D+00 -0.207569D+01  0.205592D+01
      4   0.417002D+01 -0.610112D+01 -0.143944D+01 -0.326847D+01  0.767625D+01
      5   0.110385D+01 -0.828965D+00 -0.871289D+00  0.327975D+00 -0.564759D-01
      6  -0.120671D+01  0.283526D+01  0.133222D+01  0.120292D+01 -0.236481D+01
               111           112           113           114           115 
      1   0.159753D+01  0.629197D+01 -0.362952D+02 -0.413248D+01  0.102526D+01
      2  -0.113018D+01 -0.817601D+01  0.510290D+02  0.415166D+01 -0.128478D+01
      3  -0.467351D+00  0.188404D+01 -0.147338D+02 -0.191830D-01  0.259521D+00
      4   0.298315D+00  0.601360D+01  0.283501D+01  0.498964D+00  0.406323D+00
      5   0.118885D+01 -0.255707D-01  0.172154D+01  0.367596D+00  0.519875D+00
      6  -0.153469D+01 -0.127630D+01  0.769467D+01  0.737396D+01 -0.331330D+00
               116           117           118           119           120 
      1  -0.357289D+01 -0.131277D+01  0.515175D+01 -0.817383D+00 -0.378427D+01
      2   0.470754D+01  0.177984D+01 -0.817538D+01  0.213530D+00  0.574742D+01
      3  -0.113464D+01 -0.467072D+00  0.302362D+01  0.603853D+00 -0.196315D+01
      4  -0.395349D+00 -0.153030D+01 -0.396251D+01  0.698715D+01  0.158554D+01
      5  -0.649835D+00 -0.744307D+00 -0.107058D+02  0.102681D+01  0.149767D+02
      6   0.248486D+01  0.122257D+01  0.192731D+01 -0.683121D-01 -0.163254D+01
               121           122           123           124           125 
      1  -0.411201D+00 -0.161919D+01 -0.328385D+00 -0.169190D+01 -0.869992D+00
      2  -0.631623D+00 -0.493370D+00  0.258151D+00  0.128980D+02 -0.100045D+01
      3   0.104282D+01  0.211256D+01  0.702339D-01 -0.112061D+02  0.187044D+01
      4   0.975211D+01 -0.288826D+01 -0.380292D+01  0.443883D+01 -0.588194D+01
      5   0.231535D+00 -0.372421D+01 -0.143187D+01  0.229471D+02 -0.355886D+01
      6  -0.148403D+01  0.899622D+00  0.764892D+01 -0.390564D+01  0.522379D+01
               126           127           128           129           130 
      1  -0.125600D+02 -0.582650D+02  0.889203D+01  0.437580D+01 -0.318166D+01
      2  -0.222326D+02  0.333870D+02 -0.129694D+02 -0.455445D+01 -0.436874D+01
      3   0.347926D+02  0.248780D+02  0.407732D+01  0.178653D+00  0.755040D+01
      4  -0.354112D+01  0.127579D+02  0.150790D+02 -0.375937D+01  0.218864D+02
      5  -0.379153D+02  0.540081D+01 -0.178995D+01  0.885292D+01 -0.401221D+01
      6   0.849052D+01 -0.696332D+01  0.273775D+01 -0.574095D+01  0.451349D+01
               131           132           133           134           135 
      1   0.235190D+02  0.542116D+01  0.964480D+01  0.292036D+01  0.160192D+02
      2  -0.261484D+02 -0.115327D+02 -0.132884D+01 -0.127670D+02  0.279113D+00
      3   0.262938D+01  0.611155D+01 -0.831596D+01  0.984665D+01 -0.162983D+02
      4   0.297584D+01  0.129513D+02 -0.971230D+01  0.149854D+02 -0.285183D+01
      5   0.153081D+02  0.496794D+00  0.741020D+01  0.178992D+01 -0.266550D+02
      6  -0.136016D+02  0.251499D+00 -0.436342D+01 -0.124365D+01  0.177880D+02
               136           137           138           139           140 
      1   0.492887D+02  0.139414D+02 -0.915137D+01  0.112173D+02  0.547106D+01
      2  -0.221785D+02 -0.314606D+01  0.415555D+01 -0.149748D+01  0.282878D+01
      3  -0.271102D+02 -0.107954D+02  0.499582D+01 -0.971986D+01 -0.829984D+01
      4   0.345970D+02  0.203831D+02 -0.663754D+01  0.197039D+02  0.136551D+02
      5  -0.137079D+02 -0.442018D+01  0.109821D+02 -0.415646D+01 -0.494379D+01
      6  -0.573120D+01 -0.290422D+01  0.444967D+01 -0.300710D+01 -0.300586D+01
               141           142           143           144           145 
      1  -0.153386D+01 -0.161735D+02 -0.323620D+01  0.687279D+01  0.703699D+01
      2  -0.614220D+00  0.833023D+01 -0.113660D+00 -0.594768D+01 -0.611865D+01
      3   0.214808D+01  0.784331D+01  0.334986D+01 -0.925113D+00 -0.918336D+00
      4  -0.539576D+01 -0.127821D+02 -0.978361D+01  0.767453D+01  0.525685D+01
      5   0.342295D+01  0.148108D+02  0.556364D+01 -0.680667D+01  0.771893D+01
      6   0.323676D+01  0.671528D+01  0.382316D+01 -0.342735D+01  0.226705D+01
               146           147           148           149           150 
      1   0.350741D+01  0.436082D+01  0.287112D+00 -0.117370D+01 -0.160567D+01
      2  -0.205820D+01 -0.464779D+01  0.140237D+01 -0.993254D+00  0.236239D+01
      3  -0.144921D+01  0.286964D+00 -0.168948D+01  0.216696D+01 -0.756717D+00
      4   0.263486D+01  0.200914D+01  0.373684D+01 -0.104736D+01  0.335013D+01
      5   0.520205D+00  0.926941D+01 -0.157441D+01  0.322468D+01 -0.241823D+01
      6   0.102112D+01  0.174121D+01  0.111941D+01  0.872886D+00  0.469158D+01
               151           152           153           154           155 
      1   0.841917D+01 -0.209316D+01 -0.157564D+01  0.829601D+00  0.277073D+00
      2  -0.114692D+02  0.172261D+01 -0.185211D+02 -0.149838D+01 -0.776974D-01
      3   0.305006D+01  0.370552D+00  0.200967D+02  0.668774D+00 -0.199376D+00
      4   0.492800D+01  0.769574D+01  0.676443D+01  0.331958D+01  0.675402D+01
      5   0.185489D+02  0.357811D+01  0.343037D+02 -0.209041D+01 -0.345941D+01
      6   0.638448D+01  0.485332D+01  0.150331D+02 -0.573001D+01 -0.204368D+01
               156           157           158           159           160 
      1  -0.356936D+00 -0.507399D+01 -0.230492D+02  0.111998D+02  0.430491D+01
      2  -0.255920D+00  0.609695D+01  0.264226D+02 -0.100587D+02 -0.318602D+01
      3   0.612856D+00 -0.102296D+01 -0.337333D+01 -0.114116D+01 -0.111890D+01
      4  -0.499567D+01  0.531713D+01  0.837480D+01 -0.410122D+01 -0.938095D+01
      5   0.617000D+01 -0.233376D+01 -0.474151D+01  0.447730D+01  0.705012D+01
      6   0.208985D+01 -0.428417D+01 -0.176584D+02  0.177261D+02  0.948528D+01
               161           162           163           164           165 
      1   0.227110D+02 -0.251209D+02  0.270329D-01  0.401607D+01  0.216959D+01
      2  -0.184987D+02  0.122404D+02  0.197065D+01 -0.466595D+01 -0.173922D+01
      3  -0.421235D+01  0.128805D+02 -0.199768D+01  0.649882D+00 -0.430365D+00
      4  -0.934055D+01  0.729470D+01  0.115395D+01  0.748631D+01  0.345446D+01
      5   0.966798D+01 -0.112077D+02  0.965092D+00  0.167006D+01  0.259281D+01
      6   0.322296D+02 -0.338011D+02  0.436793D+01 -0.129457D+01 -0.786596D+00
               166           167           168           169           170 
      1  -0.305793D+01 -0.353203D+02 -0.106113D+02  0.485529D+00 -0.194640D+02
      2   0.476493D+01  0.512064D+02  0.154539D+02  0.128159D+01  0.260246D+02
      3  -0.170700D+01 -0.158862D+02 -0.484259D+01 -0.176712D+01 -0.656058D+01
      4   0.692543D+01  0.103215D+02  0.300901D+01  0.542470D+01  0.555678D+01
      5   0.159941D+01  0.354464D+01  0.332099D+01  0.348922D+01  0.513402D+01
      6   0.186801D+01  0.210296D+02  0.157878D+02  0.403072D+01  0.244524D+02
               171           172           173           174           175 
      1  -0.153711D+02  0.352043D+01 -0.244870D+01  0.540042D+01  0.947896D+00
      2   0.141923D+02 -0.371578D+01  0.288495D+01 -0.681049D+00 -0.893910D+00
      3   0.117881D+01  0.195348D+00 -0.436253D+00 -0.471938D+01 -0.539867D-01
      4   0.412155D+01 -0.288331D+00 -0.203043D+01 -0.153575D+01 -0.462660D+00
      5   0.224003D+01  0.156229D+01  0.254910D+00 -0.835532D+00  0.808992D+00
      6   0.142362D+02 -0.142516D+01 -0.167548D+01  0.340915D+01 -0.150145D+00
               176           177           178           179           180 
      1  -0.555744D+01  0.193515D+01  0.673576D+01  0.377892D+01 -0.175464D+02
      2   0.416071D+01 -0.218640D+01 -0.394839D+01 -0.286831D+01 -0.916821D+01
      3   0.139673D+01  0.251248D+00 -0.278737D+01 -0.910611D+00  0.267146D+02
      4  -0.127567D+01  0.197428D+01 -0.694854D+01  0.770803D+01 -0.301500D+01
      5   0.158417D+01 -0.232251D+00  0.782141D+01 -0.612274D+01  0.325719D+02
      6  -0.172835D+01  0.576023D+01 -0.199770D+01  0.914290D+01 -0.252597D+02
               181           182           183           184           185 
      1   0.858313D+02 -0.835320D+01 -0.339108D+01  0.603753D+01  0.365129D+01
      2  -0.441273D+02  0.742457D+00  0.142106D+01 -0.584553D+01  0.779222D+00
      3  -0.417040D+02  0.761074D+01  0.197002D+01 -0.192002D+00 -0.443051D+01
      4  -0.364132D+02  0.163460D+02  0.756381D+00  0.759437D+01 -0.315314D+01
      5   0.202761D+01 -0.512320D+00  0.108153D+02  0.582521D+00 -0.159378D+01
      6   0.183812D+01  0.907187D+00 -0.420785D+01  0.282443D+00  0.109669D+01
               186           187           188           189           190 
      1  -0.682817D+00 -0.781309D+01 -0.168661D+00  0.540607D+01  0.278021D+01
      2   0.120282D+01  0.415611D+01  0.187520D+01 -0.467611D+01  0.702709D+00
      3  -0.520002D+00  0.365698D+01 -0.170654D+01 -0.729952D+00 -0.348292D+01
      4  -0.170337D+01  0.411488D+01 -0.371450D+01 -0.274816D+01 -0.139373D+01
      5   0.947950D+00  0.107198D+02 -0.167656D+01 -0.479673D+00 -0.137255D+01
      6   0.751605D+00 -0.316031D+01  0.187029D+01 -0.628827D+00  0.197082D+01
               191           192           193           194           195 
      1  -0.792736D+01 -0.227757D+01 -0.566376D+01 -0.269247D+02 -0.581354D+01
      2   0.918653D+01  0.224999D+01  0.176155D+01  0.470777D+02  0.962693D+01
      3  -0.125918D+01  0.275834D-01  0.390220D+01 -0.201530D+02 -0.381339D+01
      4  -0.552669D+00  0.120065D+01  0.921955D+01 -0.322882D+02 -0.602294D+01
      5  -0.439995D+00 -0.124752D+01 -0.621458D+00 -0.795835D+01 -0.697175D+01
      6   0.724937D+00  0.260179D+01 -0.194871D+00  0.721449D+01  0.897595D+01
               196           197           198 
      1  -0.424252D+01 -0.681463D+01 -0.721534D+01
      2   0.135876D+01  0.117546D+02  0.575740D+01
      3   0.288376D+01 -0.493996D+01  0.145794D+01
      4   0.505727D+01 -0.108356D+02 -0.418150D+01
      5   0.919961D+00 -0.582098D+01 -0.208478D+01
      6   0.174142D+00  0.885336D+01  0.450340D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119197D+03      0.176631D+02      0.196529D+02
   aniso      0.587925D+02      0.871214D+01      0.969357D+01
   xx         0.146981D+03      0.217803D+02      0.242339D+02
   yx         0.188083D+01      0.278710D+00      0.310107D+00
   yy         0.128880D+03      0.190981D+02      0.212494D+02
   zx        -0.342454D+01     -0.507465D+00     -0.564631D+00
   zy         0.146512D+01      0.217108D+00      0.241565D+00
   zz         0.817293D+02      0.121110D+02      0.134753D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119197D+03      0.176631D+02      0.196529D+02
   aniso      0.587925D+02      0.871214D+01      0.969357D+01
   xx         0.875854D+02      0.129788D+02      0.144409D+02
   yx         0.140330D+02      0.207948D+01      0.231373D+01
   yy         0.125257D+03      0.185612D+02      0.206521D+02
   zx         0.104424D+02      0.154741D+01      0.172172D+01
   zy         0.133455D+01      0.197759D+00      0.220037D+00
   zz         0.144748D+03      0.214494D+02      0.238657D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-09\Freq\RwB97XD\Gen\C10H12\PIERPA\09-Jul-2021\0\\#P w
 B97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gue
 ss=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.164986,-1.
 22492,-0.005005\C,-2.64202,0.073409,0.14669\C,-1.762079,1.153232,0.130
 794\C,-0.405452,0.917524,-0.034454\C,0.074285,-0.384887,-0.1864\C,-0.8
 02207,-1.459935,-0.173869\C,1.57772,-0.384146,-0.367381\C,1.970002,1.0
 20984,0.144037\C,0.731931,1.906712,-0.098518\H,-2.85672,-2.057467,0.01
 3689\H,-3.702276,0.24425,0.283207\H,-2.135971,2.162786,0.253773\H,-0.4
 37393,-2.473544,-0.28667\H,1.78987,-0.436688,-1.443748\C,2.317593,-1.5
 24644,0.320775\H,2.87317,1.403772,-0.331853\H,2.163642,0.958387,1.2186
 72\H,0.772481,2.369953,-1.090624\H,0.637692,2.716269,0.626868\H,2.1082
 72,-1.526468,1.392826\H,3.39662,-1.425796,0.184958\H,2.021897,-2.49542
 9,-0.08111\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4843583\RMSD=4.
 061e-09\RMSF=3.841e-06\ZeroPoint=0.1920584\Thermal=0.2003641\Dipole=0.
 228478,0.0849445,-0.0465018\DipoleDeriv=-0.0445121,0.0259601,-0.010713
 3,0.0950944,0.0385571,0.0000125,-0.0031683,0.0095673,-0.1496511,0.0317
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 WHEN YOU'VE SEEN ONE NUCLEAR WAR YOU'VE SEEN THEM ALL.
 Job cpu time:       0 days 10 hours 17 minutes 37.1 seconds.
 Elapsed time:       0 days  0 hours 38 minutes 39.8 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 00:21:07 2021.
